4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C16H22N4OS2 — CID 71800886

IUPAC4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCn1ccnc1SCC1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C16H22N4OS2/c1-19-9-6-17-16(19)23-12-13-4-7-20(8-5-13)15(21)18-11-14-3-2-10-22-14/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3,(H,18,21)
InChIKeyQJTDXMKRXBQPBT-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.20
Rot. Bonds5

About 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 71800886) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID71800886
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCn1ccnc1SCC1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C16H22N4OS2/c1-19-9-6-17-16(19)23-12-13-4-7-20(8-5-13)15(21)18-11-14-3-2-10-22-14/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3,(H,18,21)
InChIKeyQJTDXMKRXBQPBT-UHFFFAOYSA-N
XLogP3.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 71800886) is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is Cn1ccnc1SCC1CCN(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is QJTDXMKRXBQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-19-9-6-17-16(19)23-12-13-4-7-20(8-5-13)15(21)18-11-14-3-2-10-22-14/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3,(H,18,21).
What are the key properties of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71800886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).