1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C14H17N3O3S3 — CID 43040962

IUPAC1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C14H17N3O3S3/c1-23(19,20)17-6-4-10(5-7-17)13(18)16-14-15-11(9-22-14)12-3-2-8-21-12/h2-3,8-10H,4-7H2,1H3,(H,15,16,18)
InChIKeyQHTRNALRQWIMJR-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.48
Rot. Bonds4

About 1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 43040962) has the molecular formula C14H17N3O3S3 and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID43040962
Molecular FormulaC14H17N3O3S3
Molecular Weight371.51 g/mol
Exact Mass371.04
IUPAC Name1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C14H17N3O3S3/c1-23(19,20)17-6-4-10(5-7-17)13(18)16-14-15-11(9-22-14)12-3-2-8-21-12/h2-3,8-10H,4-7H2,1H3,(H,15,16,18)
InChIKeyQHTRNALRQWIMJR-UHFFFAOYSA-N
XLogP2.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
(3R)-2-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 40956655
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2532699
tert-butyl 3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 55467468
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
1-methylsulfonyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 121169759
3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149967
(1S,2S,3S,4R)-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51373083
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50947861
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 21009015
1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 43043803
4-(2-methylpiperidin-1-yl)sulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4198033

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 43040962) is 1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is QHTRNALRQWIMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S3/c1-23(19,20)17-6-4-10(5-7-17)13(18)16-14-15-11(9-22-14)12-3-2-8-21-12/h2-3,8-10H,4-7H2,1H3,(H,15,16,18).
What are the key properties of 1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43040962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).