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

C16H24ClNO2S — CID 106730168

IUPACN-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC(CNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2S/c1-2-10-21(19,20)11-9-14(12-18-16-7-8-16)13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyYGVSPPXPIIODHA-UHFFFAOYSA-N
MW329.89 g/mol
LogP3.39
Rot. Bonds9

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

N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine (PubChem CID 106730168) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine
PubChem CID106730168
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC NameN-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC(CNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2S/c1-2-10-21(19,20)11-9-14(12-18-16-7-8-16)13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyYGVSPPXPIIODHA-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)hexyl]cyclopropanamine
CID 79437438
N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730114
N-[5-ethylsulfonyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79430982
N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730256
N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
CID 79449139
N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79438020
N-[2-(4-bromophenyl)-5-methylsulfonylpentyl]cyclopropanamine
CID 79438346
N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine
CID 106729682
(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106724080
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617
2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730148
N-(2-phenylnonyl)cyclopropanamine
CID 65431169

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine (CID 106730168) is N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine is CCCS(=O)(=O)CCC(CNC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine?
The InChIKey is YGVSPPXPIIODHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-2-10-21(19,20)11-9-14(12-18-16-7-8-16)13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine?
N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine has a molecular weight of 329.89 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine is sourced from PubChem (CID 106730168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).