3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine

C13H17F2NS — CID 64717998

IUPAC3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Sc2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2NS/c1-16-10-3-2-4-11(8-10)17-13-6-5-9(14)7-12(13)15/h5-7,10-11,16H,2-4,8H2,1H3
InChIKeyCTGSNTXKVMMSRQ-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.59
Rot. Bonds3

About 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine

3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine (PubChem CID 64717998) has the molecular formula C13H17F2NS and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
PubChem CID64717998
Molecular FormulaC13H17F2NS
Molecular Weight257.35 g/mol
Exact Mass257.10
IUPAC Name3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Sc2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2NS/c1-16-10-3-2-4-11(8-10)17-13-6-5-9(14)7-12(13)15/h5-7,10-11,16H,2-4,8H2,1H3
InChIKeyCTGSNTXKVMMSRQ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-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

3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64716531
N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine
CID 64718248
2-(2,4-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64613286
1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine
CID 63532460
N-[[3-fluoro-4-(3-methylcyclohexyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63807774
N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine
CID 62577788
3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64505887
2-(2,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64613079
2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64614748
N-[[3-fluoro-4-(3-methylcyclohexyl)sulfanylphenyl]methyl]propan-1-amine
CID 63808662
N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63814069
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine (CID 64717998) is 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine is CNC1CCCC(Sc2ccc(F)cc2F)C1.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
The InChIKey is CTGSNTXKVMMSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NS/c1-16-10-3-2-4-11(8-10)17-13-6-5-9(14)7-12(13)15/h5-7,10-11,16H,2-4,8H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64717998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).