4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C17H21N3O3S2 — CID 119105567

IUPAC4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)s1
InChIInChI=1S/C17H21N3O3S2/c1-13-11-18-16(24-13)19-17(21)20-9-7-15(8-10-20)25(22,23)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)
InChIKeyZDMOZEUSVWMENP-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.06
Rot. Bonds4

About 4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 119105567) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID119105567
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)s1
InChIInChI=1S/C17H21N3O3S2/c1-13-11-18-16(24-13)19-17(21)20-9-7-15(8-10-20)25(22,23)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)
InChIKeyZDMOZEUSVWMENP-UHFFFAOYSA-N
XLogP3.06
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzylsulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-1-carboxamide
CID 121022782
4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 119105569
4-(3,5-dioxomorpholin-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 138988958
(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 121022772
1-benzothiophen-2-yl-(4-benzylsulfonylpiperidin-1-yl)methanone
CID 119105549
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
1-(5-methyl-1,3-thiazol-2-yl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 136522981
N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 126770563
(4-benzylsulfonylpiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 121022759
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382851

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 119105567) is 4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is Cc1cnc(NC(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)s1.
What is the InChIKey of 4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is ZDMOZEUSVWMENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-13-11-18-16(24-13)19-17(21)20-9-7-15(8-10-20)25(22,23)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21).
What are the key properties of 4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 119105567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).