methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate

C12H24N2O4S — CID 106630937

IUPACmethyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-10(2)14(8-11-5-4-6-13-7-11)19(16,17)9-12(15)18-3/h10-11,13H,4-9H2,1-3H3
InChIKeySWAUFLPDVCXXOL-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.20
Rot. Bonds6

About methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate

methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate (PubChem CID 106630937) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate
PubChem CID106630937
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-10(2)14(8-11-5-4-6-13-7-11)19(16,17)9-12(15)18-3/h10-11,13H,4-9H2,1-3H3
InChIKeySWAUFLPDVCXXOL-UHFFFAOYSA-N
XLogP0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide
CID 106630987
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate
CID 106637068
methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106607628
methyl 4-(piperidin-3-ylmethylsulfonyl)butanoate
CID 82182142
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
methyl 4-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]butanoate
CID 106607587
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589

Frequently Asked Questions

What is the IUPAC name of methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate (CID 106630937) is methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)N(CC1CCCNC1)C(C)C.
What is the InChIKey of methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate?
The InChIKey is SWAUFLPDVCXXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(2)14(8-11-5-4-6-13-7-11)19(16,17)9-12(15)18-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate?
methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate has a molecular weight of 292.40 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate is sourced from PubChem (CID 106630937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).