1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C12H18N2O3S2 — CID 3244835

IUPAC1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2cccs2)C1
InChIInChI=1S/C12H18N2O3S2/c1-19(16,17)14-6-2-4-10(9-14)12(15)13-8-11-5-3-7-18-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,13,15)
InChIKeyIQARNGVFSSJKHD-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.04
Rot. Bonds4

About 1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 3244835) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID3244835
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2cccs2)C1
InChIInChI=1S/C12H18N2O3S2/c1-19(16,17)14-6-2-4-10(9-14)12(15)13-8-11-5-3-7-18-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,13,15)
InChIKeyIQARNGVFSSJKHD-UHFFFAOYSA-N
XLogP1.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 3244835) is 1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCc2cccs2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is IQARNGVFSSJKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-19(16,17)14-6-2-4-10(9-14)12(15)13-8-11-5-3-7-18-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,13,15).
What are the key properties of 1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3244835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).