methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate

C12H24N2O4S — CID 63629231

IUPACmethyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C12H24N2O4S/c1-18-12(15)5-3-9-19(16,17)14-8-6-11-4-2-7-13-10-11/h11,13-14H,2-10H2,1H3
InChIKeySZICLGJAZDRCIA-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.25
Rot. Bonds8

About methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate

methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate (PubChem CID 63629231) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate
PubChem CID63629231
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C12H24N2O4S/c1-18-12(15)5-3-9-19(16,17)14-8-6-11-4-2-7-13-10-11/h11,13-14H,2-10H2,1H3
InChIKeySZICLGJAZDRCIA-UHFFFAOYSA-N
XLogP0.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate
CID 80563588
methyl 4-(piperidin-3-ylmethylsulfonyl)butanoate
CID 82182142
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
CID 55249778
N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 63623248
N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide
CID 119979538
methyl 3-(2-piperidin-3-ylethylsulfanyl)propanoate
CID 62356884
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate (CID 63629231) is methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NCCC1CCCNC1.
What is the InChIKey of methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate?
The InChIKey is SZICLGJAZDRCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-18-12(15)5-3-9-19(16,17)14-8-6-11-4-2-7-13-10-11/h11,13-14H,2-10H2,1H3.
What are the key properties of methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate?
methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate has a molecular weight of 292.40 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate is sourced from PubChem (CID 63629231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).