N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide

C15H22N4O2S2 — CID 20938165

IUPACN-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCN(CCc2cccs2)CC1)c1cnc[nH]1
InChIInChI=1S/C15H22N4O2S2/c20-23(21,15-11-16-12-17-15)18-10-13-3-6-19(7-4-13)8-5-14-2-1-9-22-14/h1-2,9,11-13,18H,3-8,10H2,(H,16,17)
InChIKeyRVAXKYOXVBVBRZ-UHFFFAOYSA-N
MW354.50 g/mol
LogP1.70
Rot. Bonds7

About N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide

N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide (PubChem CID 20938165) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide
PubChem CID20938165
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC NameN-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCN(CCc2cccs2)CC1)c1cnc[nH]1
InChIInChI=1S/C15H22N4O2S2/c20-23(21,15-11-16-12-17-15)18-10-13-3-6-19(7-4-13)8-5-14-2-1-9-22-14/h1-2,9,11-13,18H,3-8,10H2,(H,16,17)
InChIKeyRVAXKYOXVBVBRZ-UHFFFAOYSA-N
XLogP1.70
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 5308394
1-methyl-N-(thien-2-ylmethyl)-1H-imidazole-4-sulfonamide
CID 3242095
1-{[1-(Propan-2-YL)-1H-imidazol-4-YL]sulfonyl}-N-[(thiophen-2-YL)methyl]piperidine-4-carboxamide
CID 53085592
1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 75425732
1-((1H-imidazol-4-yl)sulfonyl)-4-((4-fluorophenyl)sulfonyl)piperidine
CID 71808848
1-(1H-imidazol-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 15998157
4-[(2-(2-Thienyl)pyrrolidinyl)sulfonyl]imidazole
CID 20895686
2-[4-(Piperidine-1-sulfonyl)-1H-imidazol-1-YL]-N-[(thiophen-2-YL)methyl]acetamide
CID 20949544
N-[2-(3-Methylthiophen-2-YL)ethyl]-2-[4-(piperidine-1-sulfonyl)-1H-imidazol-1-YL]acetamide
CID 20949593
2-{4-[(4-Methylpiperidin-1-YL)sulfonyl]-1H-imidazol-1-YL}-N-[(thiophen-2-YL)methyl]acetamide
CID 20949693
1-((5-ethylthiophen-2-yl)sulfonyl)-4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidine
CID 71800900
1-methyl-N-((1-(thiophen-2-yl)cyclopentyl)methyl)-1H-imidazole-4-sulfonamide
CID 71806161

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide (CID 20938165) is N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide is O=S(=O)(NCC1CCN(CCc2cccs2)CC1)c1cnc[nH]1.
What is the InChIKey of N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is RVAXKYOXVBVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c20-23(21,15-11-16-12-17-15)18-10-13-3-6-19(7-4-13)8-5-14-2-1-9-22-14/h1-2,9,11-13,18H,3-8,10H2,(H,16,17).
What are the key properties of N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide?
N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 20938165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).