(3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid

C10H20N2O4S — CID 28784081

IUPAC(3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-3-11(4-2)17(15,16)12-7-5-6-9(8-12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyHKSSRGMAIWOYEC-VIFPVBQESA-N
MW264.35 g/mol
LogP0.37
Rot. Bonds5

About (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid

(3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 28784081) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID28784081
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-3-11(4-2)17(15,16)12-7-5-6-9(8-12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyHKSSRGMAIWOYEC-VIFPVBQESA-N
XLogP0.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid (CID 28784081) is (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid is CCN(CC)S(=O)(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is HKSSRGMAIWOYEC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-11(4-2)17(15,16)12-7-5-6-9(8-12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid?
(3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(diethylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 28784081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).