N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine

C14H21NO2S2 — CID 66349069

IUPACN-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCSc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H21NO2S2/c1-2-19(16,17)9-8-18-14-5-3-4-12(10-14)11-15-13-6-7-13/h3-5,10,13,15H,2,6-9,11H2,1H3
InChIKeyCGVMTODYOQQVGN-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.47
Rot. Bonds8

About N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine

N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine (PubChem CID 66349069) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
PubChem CID66349069
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC NameN-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCSc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H21NO2S2/c1-2-19(16,17)9-8-18-14-5-3-4-12(10-14)11-15-13-6-7-13/h3-5,10,13,15H,2,6-9,11H2,1H3
InChIKeyCGVMTODYOQQVGN-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[[3-(4-methylpentylsulfanyl)phenyl]methyl]cyclopropanamine
CID 83169209
[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine
CID 66354536
N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66347132
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanylacetonitrile
CID 66348489
5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol
CID 66347513
N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347718
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347709
N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805871
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004
N-[[3-(3-ethylsulfonylpropylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348142
N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66348869

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine (CID 66349069) is N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine is CCS(=O)(=O)CCSc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine?
The InChIKey is CGVMTODYOQQVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-2-19(16,17)9-8-18-14-5-3-4-12(10-14)11-15-13-6-7-13/h3-5,10,13,15H,2,6-9,11H2,1H3.
What are the key properties of N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine?
N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine has a molecular weight of 299.46 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66349069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).