1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C14H18N4O3S2 — CID 5308394

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C14H18N4O3S2/c19-14(16-7-12-4-2-6-22-12)11-3-1-5-18(9-11)23(20,21)13-8-15-10-17-13/h2,4,6,8,10-11H,1,3,5,7,9H2,(H,15,17)(H,16,19)
InChIKeyOFZBCEPESIDLAF-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.19
Rot. Bonds5

About 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 5308394) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID5308394
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C14H18N4O3S2/c19-14(16-7-12-4-2-6-22-12)11-3-1-5-18(9-11)23(20,21)13-8-15-10-17-13/h2,4,6,8,10-11H,1,3,5,7,9H2,(H,15,17)(H,16,19)
InChIKeyOFZBCEPESIDLAF-UHFFFAOYSA-N
XLogP1.19
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 5308394) is 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OFZBCEPESIDLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c19-14(16-7-12-4-2-6-22-12)11-3-1-5-18(9-11)23(20,21)13-8-15-10-17-13/h2,4,6,8,10-11H,1,3,5,7,9H2,(H,15,17)(H,16,19).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 5308394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).