N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C16H19N3O3S2 — CID 3239635

IUPACN-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H19N3O3S2/c20-16(18-12-14-4-1-2-8-17-14)13-6-9-19(10-7-13)24(21,22)15-5-3-11-23-15/h1-5,8,11,13H,6-7,9-10,12H2,(H,18,20)
InChIKeyAVZOIIAMPPEQBC-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.86
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3239635) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID3239635
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H19N3O3S2/c20-16(18-12-14-4-1-2-8-17-14)13-6-9-19(10-7-13)24(21,22)15-5-3-11-23-15/h1-5,8,11,13H,6-7,9-10,12H2,(H,18,20)
InChIKeyAVZOIIAMPPEQBC-UHFFFAOYSA-N
XLogP1.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(quinoxalin-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25187694
(3S)-N-hydroxy-2,2-dimethyl-4-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-thiazepane-3-carboxamide
CID 10788617
N-(2-(4-ethylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)thiophene-2-sulfonamide
CID 16194574
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(3-methylthiophen-2-yl)methanone
CID 42606103
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(5-(methylthio)thiophen-2-yl)methanone
CID 42606106
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-thiophen-3-yl-methanone
CID 42606222
(2R)-4-(2-chloroacetyl)-N-(pyridin-2-ylmethyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423213
(2S)-4-(2-chloroacetyl)-N-(pyridin-2-ylmethyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423214
N-(pyridin-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2330442
N-ethyl-N-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2356521
1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2976301
1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 5308292

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 3239635) is N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is AVZOIIAMPPEQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c20-16(18-12-14-4-1-2-8-17-14)13-6-9-19(10-7-13)24(21,22)15-5-3-11-23-15/h1-5,8,11,13H,6-7,9-10,12H2,(H,18,20).
What are the key properties of N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3239635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).