N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine

C14H17N3O2S — CID 60841056

IUPACN-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)c1ccc(-c2cnc(CNC3CC3)[nH]2)cc1
InChIInChI=1S/C14H17N3O2S/c1-20(18,19)12-6-2-10(3-7-12)13-8-16-14(17-13)9-15-11-4-5-11/h2-3,6-8,11,15H,4-5,9H2,1H3,(H,16,17)
InChIKeyRXZZBRGZDCZTHE-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.73
Rot. Bonds5

About N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine

N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 60841056) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
PubChem CID60841056
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)c1ccc(-c2cnc(CNC3CC3)[nH]2)cc1
InChIInChI=1S/C14H17N3O2S/c1-20(18,19)12-6-2-10(3-7-12)13-8-16-14(17-13)9-15-11-4-5-11/h2-3,6-8,11,15H,4-5,9H2,1H3,(H,16,17)
InChIKeyRXZZBRGZDCZTHE-UHFFFAOYSA-N
XLogP1.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine 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

N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60842321
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60853947
N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 175646911
N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60849821
N-[[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851239
1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43650551
N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867861
N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851238
N-[(5-ethyl-1H-imidazol-2-yl)methyl]cyclopropanamine
CID 82239451
N-[2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182106
3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 62475459
3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
CID 79461145

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine (CID 60841056) is N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine is CS(=O)(=O)c1ccc(-c2cnc(CNC3CC3)[nH]2)cc1.
What is the InChIKey of N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is RXZZBRGZDCZTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-20(18,19)12-6-2-10(3-7-12)13-8-16-14(17-13)9-15-11-4-5-11/h2-3,6-8,11,15H,4-5,9H2,1H3,(H,16,17).
What are the key properties of N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 291.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 60841056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).