N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C16H19N3O3S2 — CID 3239066

IUPACN-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H19N3O3S2/c20-16(18-12-13-3-1-7-17-11-13)14-5-8-19(9-6-14)24(21,22)15-4-2-10-23-15/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,18,20)
InChIKeyYSFCCJYKMUAZBO-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.86
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3239066) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID3239066
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H19N3O3S2/c20-16(18-12-13-3-1-7-17-11-13)14-5-8-19(9-6-14)24(21,22)15-4-2-10-23-15/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,18,20)
InChIKeyYSFCCJYKMUAZBO-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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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 3239066) is N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is YSFCCJYKMUAZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c20-16(18-12-13-3-1-7-17-11-13)14-5-8-19(9-6-14)24(21,22)15-4-2-10-23-15/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,18,20).
What are the key properties of N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(pyridin-3-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-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3239066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).