1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine

C16H23F2NS — CID 65139211

IUPAC1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1cccc(F)c1F
InChIInChI=1S/C16H23F2NS/c1-2-19-13(11-20-14-7-3-4-8-14)10-12-6-5-9-15(17)16(12)18/h5-6,9,13-14,19H,2-4,7-8,10-11H2,1H3
InChIKeyXDAKHBYEWRVMDR-UHFFFAOYSA-N
MW299.43 g/mol
LogP4.16
Rot. Bonds7

About 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine

1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine (PubChem CID 65139211) has the molecular formula C16H23F2NS and a molecular weight of 299.43 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
PubChem CID65139211
Molecular FormulaC16H23F2NS
Molecular Weight299.43 g/mol
Exact Mass299.15
IUPAC Name1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1cccc(F)c1F
InChIInChI=1S/C16H23F2NS/c1-2-19-13(11-20-14-7-3-4-8-14)10-12-6-5-9-15(17)16(12)18/h5-6,9,13-14,19H,2-4,7-8,10-11H2,1H3
InChIKeyXDAKHBYEWRVMDR-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine 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

1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 115846974
[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227417
1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65138997
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
CID 65143955
1-(2,3-difluorophenyl)-N-ethyl-4-methoxybutan-2-amine
CID 55095513
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine (CID 65139211) is 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine is CCNC(CSC1CCCC1)Cc1cccc(F)c1F.
What is the InChIKey of 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is XDAKHBYEWRVMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NS/c1-2-19-13(11-20-14-7-3-4-8-14)10-12-6-5-9-15(17)16(12)18/h5-6,9,13-14,19H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine?
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine has a molecular weight of 299.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 65139211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).