N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C15H17N3O3S2 — CID 2330442

IUPACN-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H17N3O3S2/c19-15(17-13-3-1-7-16-11-13)12-5-8-18(9-6-12)23(20,21)14-4-2-10-22-14/h1-4,7,10-12H,5-6,8-9H2,(H,17,19)
InChIKeyXGOZLFOGTIWPTA-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.18
Rot. Bonds4

About N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2330442) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2330442
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H17N3O3S2/c19-15(17-13-3-1-7-16-11-13)12-5-8-18(9-6-12)23(20,21)14-4-2-10-22-14/h1-4,7,10-12H,5-6,8-9H2,(H,17,19)
InChIKeyXGOZLFOGTIWPTA-UHFFFAOYSA-N
XLogP2.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2330442) is N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is XGOZLFOGTIWPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c19-15(17-13-3-1-7-16-11-13)12-5-8-18(9-6-12)23(20,21)14-4-2-10-22-14/h1-4,7,10-12H,5-6,8-9H2,(H,17,19).
What are the key properties of N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2330442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).