N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine

C12H21N3O2S — CID 65046461

IUPACN-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCCn1ccnc1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)12-5-2-4-11(12)14-6-3-8-15-9-7-13-10-15/h7,9-12,14H,2-6,8H2,1H3
InChIKeyPVZZPAAMHCMGNI-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.83
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine

N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65046461) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID65046461
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCCn1ccnc1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)12-5-2-4-11(12)14-6-3-8-15-9-7-13-10-15/h7,9-12,14H,2-6,8H2,1H3
InChIKeyPVZZPAAMHCMGNI-UHFFFAOYSA-N
XLogP0.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine 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

trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 99638037
cis-(1S,2R)-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 124681069
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65044347
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine
CID 86790028
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392168
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
CID 136520503
cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine
CID 99622517
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine (CID 65046461) is N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is PVZZPAAMHCMGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-18(16,17)12-5-2-4-11(12)14-6-3-8-15-9-7-13-10-15/h7,9-12,14H,2-6,8H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine?
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65046461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).