N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C16H19N3O3S2 — CID 2307845

IUPACN-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H19N3O3S2/c1-12-4-2-8-17-15(12)18-16(20)13-6-9-19(10-7-13)24(21,22)14-5-3-11-23-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,17,18,20)
InChIKeyFNEFCAPRNNNQRD-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.49
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2307845) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2307845
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H19N3O3S2/c1-12-4-2-8-17-15(12)18-16(20)13-6-9-19(10-7-13)24(21,22)14-5-3-11-23-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,17,18,20)
InChIKeyFNEFCAPRNNNQRD-UHFFFAOYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2307845) is N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is FNEFCAPRNNNQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-12-4-2-8-17-15(12)18-16(20)13-6-9-19(10-7-13)24(21,22)14-5-3-11-23-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,17,18,20).
What are the key properties of N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2307845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).