(2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid

C13H17ClN2O5S2 — CID 122115765

IUPAC(2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2O5S2/c1-8-9(13(18)19)3-2-6-16(8)11(17)7-15-23(20,21)12-5-4-10(14)22-12/h4-5,8-9,15H,2-3,6-7H2,1H3,(H,18,19)/t8-,9-/m1/s1
InChIKeyGVDMRZABRPJUGL-RKDXNWHRSA-N
MW380.88 g/mol
LogP1.39
Rot. Bonds5

About (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 122115765) has the molecular formula C13H17ClN2O5S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID122115765
Molecular FormulaC13H17ClN2O5S2
Molecular Weight380.88 g/mol
Exact Mass380.03
IUPAC Name(2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2O5S2/c1-8-9(13(18)19)3-2-6-16(8)11(17)7-15-23(20,21)12-5-4-10(14)22-12/h4-5,8-9,15H,2-3,6-7H2,1H3,(H,18,19)/t8-,9-/m1/s1
InChIKeyGVDMRZABRPJUGL-RKDXNWHRSA-N
XLogP1.39
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-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

Related Compounds

5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122114835
5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119624431
(2R,3R)-1-[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116624
5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 137417792
(2S)-2-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]-3-methylbutanoic acid
CID 119359903
(2S,3S)-2-methyl-1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 122115975
N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119604012
(2R,3R)-1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114889
5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5056774
5-chloro-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 6470902
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 47139078

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid (CID 122115765) is (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is GVDMRZABRPJUGL-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H17ClN2O5S2/c1-8-9(13(18)19)3-2-6-16(8)11(17)7-15-23(20,21)12-5-4-10(14)22-12/h4-5,8-9,15H,2-3,6-7H2,1H3,(H,18,19)/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 380.88 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122115765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).