[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone

C15H19N3OS2 — CID 71800875

IUPAC[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCn1ccnc1SCC1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C15H19N3OS2/c1-17-8-5-16-15(17)21-10-12-2-6-18(7-3-12)14(19)13-4-9-20-11-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3
InChIKeyXSKQOIUKRCNFBA-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.13
Rot. Bonds4

About [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone

[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 71800875) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID71800875
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCn1ccnc1SCC1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C15H19N3OS2/c1-17-8-5-16-15(17)21-10-12-2-6-18(7-3-12)14(19)13-4-9-20-11-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3
InChIKeyXSKQOIUKRCNFBA-UHFFFAOYSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 71800875) is [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone is Cn1ccnc1SCC1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is XSKQOIUKRCNFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-17-8-5-16-15(17)21-10-12-2-6-18(7-3-12)14(19)13-4-9-20-11-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3.
What are the key properties of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone?
[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 321.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 71800875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).