1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C14H18N4O3S2 — CID 15998157

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C14H18N4O3S2/c19-14(16-8-12-2-1-7-22-12)11-3-5-18(6-4-11)23(20,21)13-9-15-10-17-13/h1-2,7,9-11H,3-6,8H2,(H,15,17)(H,16,19)
InChIKeyFKVKERWLDRCRCR-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.19
Rot. Bonds5

About 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 15998157) 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-4-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID15998157
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C14H18N4O3S2/c19-14(16-8-12-2-1-7-22-12)11-3-5-18(6-4-11)23(20,21)13-9-15-10-17-13/h1-2,7,9-11H,3-6,8H2,(H,15,17)(H,16,19)
InChIKeyFKVKERWLDRCRCR-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-4-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 15998157) is 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FKVKERWLDRCRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c19-14(16-8-12-2-1-7-22-12)11-3-5-18(6-4-11)23(20,21)13-9-15-10-17-13/h1-2,7,9-11H,3-6,8H2,(H,15,17)(H,16,19).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 15998157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).