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

C15H22ClNO2S — CID 79449139

IUPACN-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
SMILESCCS(=O)(=O)CCC(CNC1CC1)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO2S/c1-2-20(18,19)10-9-12(11-17-13-7-8-13)14-5-3-4-6-15(14)16/h3-6,12-13,17H,2,7-11H2,1H3
InChIKeyTUJRXXNPXIXDTB-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.00
Rot. Bonds8

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

N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine (PubChem CID 79449139) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
PubChem CID79449139
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC NameN-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
SMILESCCS(=O)(=O)CCC(CNC1CC1)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO2S/c1-2-20(18,19)10-9-12(11-17-13-7-8-13)14-5-3-4-6-15(14)16/h3-6,12-13,17H,2,7-11H2,1H3
InChIKeyTUJRXXNPXIXDTB-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730256
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79436727
N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730168
2-(2-chlorophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79449274
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79436421
N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730114
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79562897
N-[2-(2-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79448761
N-[5-ethylsulfonyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79430982
N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79449507

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine (CID 79449139) is N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine is CCS(=O)(=O)CCC(CNC1CC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine?
The InChIKey is TUJRXXNPXIXDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-2-20(18,19)10-9-12(11-17-13-7-8-13)14-5-3-4-6-15(14)16/h3-6,12-13,17H,2,7-11H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine?
N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine has a molecular weight of 315.87 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine is sourced from PubChem (CID 79449139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).