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

C15H18N2O3S3 — CID 3238367

IUPACN-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H18N2O3S3/c18-15(16-10-13-5-2-8-21-13)12-4-1-7-17(11-12)23(19,20)14-6-3-9-22-14/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H,16,18)
InChIKeyXNGSCCURHALODD-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.53
Rot. Bonds5

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

N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 3238367) has the molecular formula C15H18N2O3S3 and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID3238367
Molecular FormulaC15H18N2O3S3
Molecular Weight370.52 g/mol
Exact Mass370.05
IUPAC NameN-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H18N2O3S3/c18-15(16-10-13-5-2-8-21-13)12-4-1-7-17(11-12)23(19,20)14-6-3-9-22-14/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H,16,18)
InChIKeyXNGSCCURHALODD-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 3238367) is N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is XNGSCCURHALODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S3/c18-15(16-10-13-5-2-8-21-13)12-4-1-7-17(11-12)23(19,20)14-6-3-9-22-14/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H,16,18).
What are the key properties of N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3238367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).