methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate

C12H24N2O4S — CID 61460228

IUPACmethyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate
SMILESCCN1CCCC(NS(=O)(=O)CCCC(=O)OC)C1
InChIInChI=1S/C12H24N2O4S/c1-3-14-8-4-6-11(10-14)13-19(16,17)9-5-7-12(15)18-2/h11,13H,3-10H2,1-2H3
InChIKeyGHHJVVGYWLNMEO-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.34
Rot. Bonds7

About methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate

methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate (PubChem CID 61460228) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate
PubChem CID61460228
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate
SMILESCCN1CCCC(NS(=O)(=O)CCCC(=O)OC)C1
InChIInChI=1S/C12H24N2O4S/c1-3-14-8-4-6-11(10-14)13-19(16,17)9-5-7-12(15)18-2/h11,13H,3-10H2,1-2H3
InChIKeyGHHJVVGYWLNMEO-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide
CID 61476840
methyl 4-[3-(methanesulfonamido)piperidin-1-yl]sulfonylbutanoate
CID 61460744
methyl 4-[[2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]acetyl]amino]butanoate
CID 95275410
methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate
CID 61460468
4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid
CID 61211429
methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
CID 54952583
methyl 4-(oxolan-3-ylsulfamoyl)butanoate
CID 80716402
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
methyl 4-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]butanoate
CID 115919099
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
CID 54952481
N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 61384296

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate (CID 61460228) is methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate is CCN1CCCC(NS(=O)(=O)CCCC(=O)OC)C1.
What is the InChIKey of methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate?
The InChIKey is GHHJVVGYWLNMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-14-8-4-6-11(10-14)13-19(16,17)9-5-7-12(15)18-2/h11,13H,3-10H2,1-2H3.
What are the key properties of methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate?
methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate has a molecular weight of 292.40 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate is sourced from PubChem (CID 61460228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).