N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine

C12H17NO2S — CID 71015787

IUPACN-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
SMILESCCS(=O)(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C12H17NO2S/c1-2-16(14,15)12-7-3-10(4-8-12)9-13-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9H2,1H3
InChIKeyDUJRIPMTYSFAIY-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.73
Rot. Bonds5

About N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine

N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine (PubChem CID 71015787) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
PubChem CID71015787
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
SMILESCCS(=O)(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C12H17NO2S/c1-2-16(14,15)12-7-3-10(4-8-12)9-13-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9H2,1H3
InChIKeyDUJRIPMTYSFAIY-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 79178519
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63958323
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60824035
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
CID 79461145
N-(chloromethyl)-1-(4-ethylsulfonylphenyl)methanamine
CID 115263058
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
N-[(4-ethylsulfonylphenyl)methyl]-2-oxopropanamide
CID 115175667
1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229254

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine (CID 71015787) is N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine is CCS(=O)(=O)c1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine?
The InChIKey is DUJRIPMTYSFAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-16(14,15)12-7-3-10(4-8-12)9-13-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9H2,1H3.
What are the key properties of N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine?
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine has a molecular weight of 239.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 71015787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).