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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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).