dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate

C98H201N21O34S6 — CID 160971307

IUPACdimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate
SMILESCC(=O)ON(C)C.CC(=O)ON1CCCC1.CC(=O)ON1CCCCC1.CC(=O)ON1CCN(C)CC1.CC(=O)ON1CCN(C)CC1.CC(=O)ON1CCOCC1.CC(=O)ON1CCS(=O)(=O)CC1.CC(=O)ON1CCS(=O)CC1.CC(=O)ON1CCSCC1.CON1CCCC1.CON1CCCCC1.CON1CCN(C)CC1.CON1CCN(C)CC1.CON1CCOCC1.CON1CCS(=O)(=O)CC1.CON1CCS(=O)CC1.CON1CCSCC1
InChIInChI=1S/2C7H14N2O2.C7H13NO2.2C6H14N2O.C6H11NO4S.C6H11NO3S.C6H11NO3.C6H11NO2S.C6H11NO2.C6H13NO.C5H11NO3S.C5H11NO2S.C5H11NO2.C5H11NOS.C5H11NO.C4H9NO2/c2*1-7(10)11-9-5-3-8(2)4-6-9;1-7(9)10-8-5-3-2-4-6-8;2*1-7-3-5-8(9-2)6-4-7;1-6(8)11-7-2-4-12(9,10)5-3-7;1-6(8)10-7-2-4-11(9)5-3-7;1-6(8)10-7-2-4-9-5-3-7;1-6(8)9-7-2-4-10-5-3-7;1-6(8)9-7-4-2-3-5-7;1-8-7-5-3-2-4-6-7;1-9-6-2-4-10(7,8)5-3-6;1-8-6-2-4-9(7)5-3-6;2*1-7-6-2-4-8-5-3-6;1-7-6-4-2-3-5-6;1-4(6)7-5(2)3/h2*3-6H2,1-2H3;2-6H2,1H3;2*3-6H2,1-2H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;1-3H3
InChIKeySYHDCAAXOXAVHL-UHFFFAOYSA-N
MW2410.20 g/mol
LogP0.63
Rot. Bonds17

About dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate

dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate (PubChem CID 160971307) has the molecular formula C98H201N21O34S6 and a molecular weight of 2410.20 g/mol. Its IUPAC name is dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate.

Molecular Properties

Compound Namedimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate
PubChem CID160971307
Molecular FormulaC98H201N21O34S6
Molecular Weight2410.20 g/mol
Exact Mass2408.30
IUPAC Namedimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate
SMILESCC(=O)ON(C)C.CC(=O)ON1CCCC1.CC(=O)ON1CCCCC1.CC(=O)ON1CCN(C)CC1.CC(=O)ON1CCN(C)CC1.CC(=O)ON1CCOCC1.CC(=O)ON1CCS(=O)(=O)CC1.CC(=O)ON1CCS(=O)CC1.CC(=O)ON1CCSCC1.CON1CCCC1.CON1CCCCC1.CON1CCN(C)CC1.CON1CCN(C)CC1.CON1CCOCC1.CON1CCS(=O)(=O)CC1.CON1CCS(=O)CC1.CON1CCSCC1
InChIInChI=1S/2C7H14N2O2.C7H13NO2.2C6H14N2O.C6H11NO4S.C6H11NO3S.C6H11NO3.C6H11NO2S.C6H11NO2.C6H13NO.C5H11NO3S.C5H11NO2S.C5H11NO2.C5H11NOS.C5H11NO.C4H9NO2/c2*1-7(10)11-9-5-3-8(2)4-6-9;1-7(9)10-8-5-3-2-4-6-8;2*1-7-3-5-8(9-2)6-4-7;1-6(8)11-7-2-4-12(9,10)5-3-7;1-6(8)10-7-2-4-11(9)5-3-7;1-6(8)10-7-2-4-9-5-3-7;1-6(8)9-7-2-4-10-5-3-7;1-6(8)9-7-4-2-3-5-7;1-8-7-5-3-2-4-6-7;1-9-6-2-4-10(7,8)5-3-6;1-8-6-2-4-9(7)5-3-6;2*1-7-6-2-4-8-5-3-6;1-7-6-4-2-3-5-6;1-4(6)7-5(2)3/h2*3-6H2,1-2H3;2-6H2,1H3;2*3-6H2,1-2H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;1-3H3
InChIKeySYHDCAAXOXAVHL-UHFFFAOYSA-N
XLogP0.63
TPSA499.46 Ų
H-Bond Donors
H-Bond Acceptors57
Rotatable Bonds17
Heavy Atoms159
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002410.20
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate?
The IUPAC name of dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate (CID 160971307) is dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate.
What is the SMILES notation for dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate?
The canonical SMILES for dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate is CC(=O)ON(C)C.CC(=O)ON1CCCC1.CC(=O)ON1CCCCC1.CC(=O)ON1CCN(C)CC1.CC(=O)ON1CCN(C)CC1.CC(=O)ON1CCOCC1.CC(=O)ON1CCS(=O)(=O)CC1.CC(=O)ON1CCS(=O)CC1.CC(=O)ON1CCSCC1.CON1CCCC1.CON1CCCCC1.CON1CCN(C)CC1.CON1CCN(C)CC1.CON1CCOCC1.CON1CCS(=O)(=O)CC1.CON1CCS(=O)CC1.CON1CCSCC1.
What is the InChIKey of dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate?
The InChIKey is SYHDCAAXOXAVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14N2O2.C7H13NO2.2C6H14N2O.C6H11NO4S.C6H11NO3S.C6H11NO3.C6H11NO2S.C6H11NO2.C6H13NO.C5H11NO3S.C5H11NO2S.C5H11NO2.C5H11NOS.C5H11NO.C4H9NO2/c2*1-7(10)11-9-5-3-8(2)4-6-9;1-7(9)10-8-5-3-2-4-6-8;2*1-7-3-5-8(9-2)6-4-7;1-6(8)11-7-2-4-12(9,10)5-3-7;1-6(8)10-7-2-4-11(9)5-3-7;1-6(8)10-7-2-4-9-5-3-7;1-6(8)9-7-2-4-10-5-3-7;1-6(8)9-7-4-2-3-5-7;1-8-7-5-3-2-4-6-7;1-9-6-2-4-10(7,8)5-3-6;1-8-6-2-4-9(7)5-3-6;2*1-7-6-2-4-8-5-3-6;1-7-6-4-2-3-5-6;1-4(6)7-5(2)3/h2*3-6H2,1-2H3;2-6H2,1H3;2*3-6H2,1-2H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;1-3H3.
What are the key properties of dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate?
dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate has a molecular weight of 2410.20 g/mol, XLogP of 0.63, 17 rotatable bonds, 0 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate is sourced from PubChem (CID 160971307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).