1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C17H21N3O3S2 — CID 46602349

IUPAC1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C17H21N3O3S2/c21-17(19-9-5-15-3-2-12-24-15)14-6-10-20(11-7-14)25(22,23)16-4-1-8-18-13-16/h1-4,8,12-14H,5-7,9-11H2,(H,19,21)
InChIKeyJYJSJNRHZYSOMK-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.90
Rot. Bonds6

About 1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 46602349) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID46602349
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C17H21N3O3S2/c21-17(19-9-5-15-3-2-12-24-15)14-6-10-20(11-7-14)25(22,23)16-4-1-8-18-13-16/h1-4,8,12-14H,5-7,9-11H2,(H,19,21)
InChIKeyJYJSJNRHZYSOMK-UHFFFAOYSA-N
XLogP1.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 17488678
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[cyclopentyl(thiophen-2-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46452333
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902248
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 53106312
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39927268
N-[4-(4-methylphenoxy)butyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55799620

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 46602349) is 1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is JYJSJNRHZYSOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c21-17(19-9-5-15-3-2-12-24-15)14-6-10-20(11-7-14)25(22,23)16-4-1-8-18-13-16/h1-4,8,12-14H,5-7,9-11H2,(H,19,21).
What are the key properties of 1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46602349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).