N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine

C15H23NO2S — CID 115898623

IUPACN-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NC(c1ccccc1)C1CC1
InChIInChI=1S/C15H23NO2S/c1-3-19(17,18)11-12(2)16-15(14-9-10-14)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3
InChIKeyPVAYVDMCJJDBEM-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.55
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine

N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine (PubChem CID 115898623) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
PubChem CID115898623
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)NC(c1ccccc1)C1CC1
InChIInChI=1S/C15H23NO2S/c1-3-19(17,18)11-12(2)16-15(14-9-10-14)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3
InChIKeyPVAYVDMCJJDBEM-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
CID 63842237
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol
CID 115494135
N-[(S)-cyclopropyl(phenyl)methyl]methanesulfonamide
CID 94197122
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534404
N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 115900683
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine (CID 115898623) is N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine is CCS(=O)(=O)CC(C)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine?
The InChIKey is PVAYVDMCJJDBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-19(17,18)11-12(2)16-15(14-9-10-14)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine?
N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 115898623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).