N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine

C16H24BrNO2S — CID 106730256

IUPACN-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC(CNC1CC1)c1ccccc1Br
InChIInChI=1S/C16H24BrNO2S/c1-2-10-21(19,20)11-9-13(12-18-14-7-8-14)15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyPHAWAETWKROBBY-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.50
Rot. Bonds9

About N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine

N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine (PubChem CID 106730256) has the molecular formula C16H24BrNO2S and a molecular weight of 374.34 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine
PubChem CID106730256
Molecular FormulaC16H24BrNO2S
Molecular Weight374.34 g/mol
Exact Mass373.07
IUPAC NameN-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC(CNC1CC1)c1ccccc1Br
InChIInChI=1S/C16H24BrNO2S/c1-2-10-21(19,20)11-9-13(12-18-14-7-8-14)15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyPHAWAETWKROBBY-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
CID 79449139
N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730168
N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79448847
N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730114
2-(2-bromophenyl)-4-ethylsulfonyl-N-(2-methoxyethyl)butan-1-amine
CID 79436776
2-(2-bromophenyl)-4-propylsulfonylbutanoic acid
CID 106727852
N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63474611
2-(2-fluorophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730224
N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine
CID 106729682
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine
CID 79563384
N-[2-(2-methylphenyl)butyl]cyclopropanamine
CID 79421511
1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
CID 117243579

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine (CID 106730256) is N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine is CCCS(=O)(=O)CCC(CNC1CC1)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine?
The InChIKey is PHAWAETWKROBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2S/c1-2-10-21(19,20)11-9-13(12-18-14-7-8-14)15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3.
What are the key properties of N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine?
N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine has a molecular weight of 374.34 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine is sourced from PubChem (CID 106730256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).