N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide

C11H20N4O2S — CID 82735588

IUPACN-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCC1CCCNC1CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H20N4O2S/c1-2-9-4-3-5-13-10(9)6-15-18(16,17)11-7-12-8-14-11/h7-10,13,15H,2-6H2,1H3,(H,12,14)
InChIKeyLUJDIIZCWOXCRC-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.47
Rot. Bonds5

About N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide

N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 82735588) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID82735588
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCC1CCCNC1CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H20N4O2S/c1-2-9-4-3-5-13-10(9)6-15-18(16,17)11-7-12-8-14-11/h7-10,13,15H,2-6H2,1H3,(H,12,14)
InChIKeyLUJDIIZCWOXCRC-UHFFFAOYSA-N
XLogP0.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-ethylpiperidin-2-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide (CID 82735588) is N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide is CCC1CCCNC1CNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is LUJDIIZCWOXCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-2-9-4-3-5-13-10(9)6-15-18(16,17)11-7-12-8-14-11/h7-10,13,15H,2-6H2,1H3,(H,12,14).
What are the key properties of N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide?
N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 82735588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).