N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine

C15H22BrNO2S — CID 79438346

IUPACN-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine
SMILESCS(=O)(=O)CCCC(CNC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO2S/c1-20(18,19)10-2-3-13(11-17-15-8-9-15)12-4-6-14(16)7-5-12/h4-7,13,15,17H,2-3,8-11H2,1H3
InChIKeyKEPIOOJMVIVZTJ-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.11
Rot. Bonds8

About N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine

N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine (PubChem CID 79438346) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine
PubChem CID79438346
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC NameN-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine
SMILESCS(=O)(=O)CCCC(CNC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO2S/c1-20(18,19)10-2-3-13(11-17-15-8-9-15)12-4-6-14(16)7-5-12/h4-7,13,15,17H,2-3,8-11H2,1H3
InChIKeyKEPIOOJMVIVZTJ-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]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-ethylsulfonyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79430982
N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730168
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930
N-[2-(4-chlorophenyl)hexyl]cyclopropanamine
CID 79437438
N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
CID 62105937
N-(2-phenylnonyl)cyclopropanamine
CID 65431169
N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
CID 79430769
N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
CID 79438193
N-[2-(4-bromophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79430772
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
1-chloro-4-(1-chloro-5-methylsulfonylpentan-2-yl)benzene
CID 79435063
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine (CID 79438346) is N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine is CS(=O)(=O)CCCC(CNC1CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine?
The InChIKey is KEPIOOJMVIVZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-20(18,19)10-2-3-13(11-17-15-8-9-15)12-4-6-14(16)7-5-12/h4-7,13,15,17H,2-3,8-11H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine?
N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine has a molecular weight of 360.32 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine is sourced from PubChem (CID 79438346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).