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

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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).