3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine

C13H17Cl2NS — CID 64716531

IUPAC3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Sc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H17Cl2NS/c1-16-10-3-2-4-11(8-10)17-13-7-9(14)5-6-12(13)15/h5-7,10-11,16H,2-4,8H2,1H3
InChIKeyWVIKREBRJZNTBK-UHFFFAOYSA-N
MW290.26 g/mol
LogP4.62
Rot. Bonds3

About 3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine

3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine (PubChem CID 64716531) has the molecular formula C13H17Cl2NS and a molecular weight of 290.26 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine
PubChem CID64716531
Molecular FormulaC13H17Cl2NS
Molecular Weight290.26 g/mol
Exact Mass289.05
IUPAC Name3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Sc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H17Cl2NS/c1-16-10-3-2-4-11(8-10)17-13-7-9(14)5-6-12(13)15/h5-7,10-11,16H,2-4,8H2,1H3
InChIKeyWVIKREBRJZNTBK-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64717998
N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine
CID 64718248
3-(2,5-dichlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79627261
methyl 1-amino-3-(2,5-dichlorophenyl)sulfanylcyclohexane-1-carboxylate
CID 79634625
N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine
CID 55194771
2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile
CID 43293027
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
5-chloro-2-(3-methylcyclohexyl)sulfanylbenzonitrile
CID 63538612
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 55182248

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine (CID 64716531) is 3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine is CNC1CCCC(Sc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
The InChIKey is WVIKREBRJZNTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NS/c1-16-10-3-2-4-11(8-10)17-13-7-9(14)5-6-12(13)15/h5-7,10-11,16H,2-4,8H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine?
3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine has a molecular weight of 290.26 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64716531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).