(2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide

C16H19N3O3S2 — CID 8762554

IUPAC(2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H19N3O3S2/c1-12-5-7-13(8-6-12)24(21,22)19-10-3-2-4-14(19)15(20)18-16-17-9-11-23-16/h5-9,11,14H,2-4,10H2,1H3,(H,17,18,20)/t14-/m1/s1
InChIKeyAVJXGTCULQJMMN-CQSZACIVSA-N
MW365.48 g/mol
LogP2.63
Rot. Bonds4

About (2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide

(2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide (PubChem CID 8762554) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
PubChem CID8762554
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name(2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H19N3O3S2/c1-12-5-7-13(8-6-12)24(21,22)19-10-3-2-4-14(19)15(20)18-16-17-9-11-23-16/h5-9,11,14H,2-4,10H2,1H3,(H,17,18,20)/t14-/m1/s1
InChIKeyAVJXGTCULQJMMN-CQSZACIVSA-N
XLogP2.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
CID 9886086
Mls000757107
CID 324088
N-(thiazol-2-yl)-1-tosylpyrrolidine-2-carboxamide
CID 3739028
3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-propionamide
CID 9799942
(E)-3-cycloheptyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10111868
(E)-3-cyclooctyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10159013
(E)-4-cyclopentyl-2-(4-methanesulfonyl-phenyl)-but-2-enoic acid thiazol-2-ylamide
CID 10271714
(E)-3-cyclohexyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10293790
LY-2121260
CID 10341191
3-cyclopentyl-2-(3-fluoro-4-methanesulfonyl-phenyl)-N-thiazol-2-yl-propionamide
CID 22315157
(2S)-2-(4-benzylsulfonyl-2-oxopiperazin-1-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 25069589
(2S)-2-[4-(3-chlorophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 25071203

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 8762554) is (2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nccs2)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is AVJXGTCULQJMMN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-12-5-7-13(8-6-12)24(21,22)19-10-3-2-4-14(19)15(20)18-16-17-9-11-23-16/h5-9,11,14H,2-4,10H2,1H3,(H,17,18,20)/t14-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide?
(2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 8762554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).