(2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid

C12H24N2O4S — CID 28784147

IUPAC(2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-4-10(3)11(12(15)16)13-19(17,18)14-7-5-9(2)6-8-14/h9-11,13H,4-8H2,1-3H3,(H,15,16)/t10-,11-/m0/s1
InChIKeyGXJRYLCBUZKFGB-QWRGUYRKSA-N
MW292.40 g/mol
LogP1.05
Rot. Bonds6

About (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid

(2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid (PubChem CID 28784147) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
PubChem CID28784147
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name(2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-4-10(3)11(12(15)16)13-19(17,18)14-7-5-9(2)6-8-14/h9-11,13H,4-8H2,1-3H3,(H,15,16)/t10-,11-/m0/s1
InChIKeyGXJRYLCBUZKFGB-QWRGUYRKSA-N
XLogP1.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic 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 (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid (CID 28784147) is (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid is CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
The InChIKey is GXJRYLCBUZKFGB-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-10(3)11(12(15)16)13-19(17,18)14-7-5-9(2)6-8-14/h9-11,13H,4-8H2,1-3H3,(H,15,16)/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid?
(2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid has a molecular weight of 292.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 28784147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).