(3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide

C17H23N3O4S2 — CID 100559523

IUPAC(3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)ccc21
InChIInChI=1S/C17H23N3O4S2/c1-11(2)20-14-7-6-13(9-15(14)25-17(20)22)18-16(21)12-5-4-8-19(10-12)26(3,23)24/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeySYIIPEJCDRAVDJ-LBPRGKRZSA-N
MW397.52 g/mol
LogP2.25
Rot. Bonds4

About (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide

(3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide (PubChem CID 100559523) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
PubChem CID100559523
Molecular FormulaC17H23N3O4S2
Molecular Weight397.52 g/mol
Exact Mass397.11
IUPAC Name(3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)ccc21
InChIInChI=1S/C17H23N3O4S2/c1-11(2)20-14-7-6-13(9-15(14)25-17(20)22)18-16(21)12-5-4-8-19(10-12)26(3,23)24/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeySYIIPEJCDRAVDJ-LBPRGKRZSA-N
XLogP2.25
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide 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

1-[(2-chlorophenyl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 133244901
1-(4-methylphenyl)sulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100561216
(3R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 100547140
(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 100536740
1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 133203747
4-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 100553679
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
N-(3-methylphenyl)-1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106306
1-[(2-chlorophenyl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100557518
methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
CID 30797828
(3S)-N-(3-bromo-4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 146337072
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide (CID 100559523) is (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide is CC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)ccc21.
What is the InChIKey of (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The InChIKey is SYIIPEJCDRAVDJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c1-11(2)20-14-7-6-13(9-15(14)25-17(20)22)18-16(21)12-5-4-8-19(10-12)26(3,23)24/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
(3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 100559523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).