ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide

C22H57N3O2S3 — CID 159889654

IUPACethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide
SMILESC.C.CC.CC.CC.CN1CCS(=O)CC1.CN1CCSCC1.O=S1CCNCC1
InChIInChI=1S/C5H11NOS.C5H11NS.C4H9NOS.3C2H6.2CH4/c1-6-2-4-8(7)5-3-6;1-6-2-4-7-5-3-6;6-7-3-1-5-2-4-7;3*1-2;;/h2-5H2,1H3;2-5H2,1H3;5H,1-4H2;3*1-2H3;2*1H4
InChIKeyNUOVWLMCIAZZSO-UHFFFAOYSA-N
MW491.92 g/mol
LogP4.03
Rot. Bonds

About ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide

ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide (PubChem CID 159889654) has the molecular formula C22H57N3O2S3 and a molecular weight of 491.92 g/mol. Its IUPAC name is ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide.

Molecular Properties

Compound Nameethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide
PubChem CID159889654
Molecular FormulaC22H57N3O2S3
Molecular Weight491.92 g/mol
Exact Mass491.36
IUPAC Nameethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide
SMILESC.C.CC.CC.CC.CN1CCS(=O)CC1.CN1CCSCC1.O=S1CCNCC1
InChIInChI=1S/C5H11NOS.C5H11NS.C4H9NOS.3C2H6.2CH4/c1-6-2-4-8(7)5-3-6;1-6-2-4-7-5-3-6;6-7-3-1-5-2-4-7;3*1-2;;/h2-5H2,1H3;2-5H2,1H3;5H,1-4H2;3*1-2H3;2*1H4
InChIKeyNUOVWLMCIAZZSO-UHFFFAOYSA-N
XLogP4.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide with MolForge

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Related Compounds

4-methylthiomorpholine
CID 523249
4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine
CID 158349393
ethane;methane;4-methyl-1,4-thiazepane
CID 142048797
ethane;methane;1-methylpiperazine
CID 142051303
ethane;1-methylpiperazine
CID 91350928
1,4-thiazepane 1-oxide
CID 54441338
ethane;1,3-thiazolidine 1-oxide
CID 143427160
aziridine;tetrakis(2,2-dimethylpropane);methane;1-methylaziridine;oxirane;thiirane
CID 161474620
1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine
CID 159858771
ethane;(4-methylpiperazin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 176959658
1-methylazepane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
CID 157410523
1-methylpiperazine;hydrate
CID 23128681

Frequently Asked Questions

What is the IUPAC name of ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide?
The IUPAC name of ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide (CID 159889654) is ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide.
What is the SMILES notation for ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide?
The canonical SMILES for ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide is C.C.CC.CC.CC.CN1CCS(=O)CC1.CN1CCSCC1.O=S1CCNCC1.
What is the InChIKey of ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide?
The InChIKey is NUOVWLMCIAZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS.C5H11NS.C4H9NOS.3C2H6.2CH4/c1-6-2-4-8(7)5-3-6;1-6-2-4-7-5-3-6;6-7-3-1-5-2-4-7;3*1-2;;/h2-5H2,1H3;2-5H2,1H3;5H,1-4H2;3*1-2H3;2*1H4.
What are the key properties of ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide?
ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide has a molecular weight of 491.92 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide is sourced from PubChem (CID 159889654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).