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

C18H23N3O3S2 — CID 110222176

IUPAC1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC(Cc2ccsc2)c2ccccn2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-26(23,24)21-9-5-15(6-10-21)18(22)20-17(12-14-7-11-25-13-14)16-4-2-3-8-19-16/h2-4,7-8,11,13,15,17H,5-6,9-10,12H2,1H3,(H,20,22)
InChIKeyXPEDZICCRCKCLA-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.21
Rot. Bonds6

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

1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide (PubChem CID 110222176) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide
PubChem CID110222176
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC(Cc2ccsc2)c2ccccn2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-26(23,24)21-9-5-15(6-10-21)18(22)20-17(12-14-7-11-25-13-14)16-4-2-3-8-19-16/h2-4,7-8,11,13,15,17H,5-6,9-10,12H2,1H3,(H,20,22)
InChIKeyXPEDZICCRCKCLA-UHFFFAOYSA-N
XLogP2.21
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide (CID 110222176) is 1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC(Cc2ccsc2)c2ccccn2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide?
The InChIKey is XPEDZICCRCKCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-26(23,24)21-9-5-15(6-10-21)18(22)20-17(12-14-7-11-25-13-14)16-4-2-3-8-19-16/h2-4,7-8,11,13,15,17H,5-6,9-10,12H2,1H3,(H,20,22).
What are the key properties of 1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 110222176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).