4-(3-methylcyclohexyl)sulfanylaniline

C13H19NS — CID 62722234

IUPAC4-(3-methylcyclohexyl)sulfanylaniline
SMILESCC1CCCC(Sc2ccc(N)cc2)C1
InChIInChI=1S/C13H19NS/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h5-8,10,13H,2-4,9,14H2,1H3
InChIKeyZWHDPOQTDFPTOA-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.94
Rot. Bonds2

About 4-(3-methylcyclohexyl)sulfanylaniline

4-(3-methylcyclohexyl)sulfanylaniline (PubChem CID 62722234) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfanylaniline.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfanylaniline
PubChem CID62722234
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-(3-methylcyclohexyl)sulfanylaniline
SMILESCC1CCCC(Sc2ccc(N)cc2)C1
InChIInChI=1S/C13H19NS/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h5-8,10,13H,2-4,9,14H2,1H3
InChIKeyZWHDPOQTDFPTOA-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(3-methylcyclohexyl)sulfanylaniline
CID 63537225
4-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)aniline
CID 55224725
1-[2-amino-4-(3-methylcyclohexyl)sulfanylphenyl]ethanone
CID 104529457
3-(difluoromethyl)-4-(3-methylcyclohexyl)sulfanylaniline
CID 63736565
3,5-difluoro-4-(3-methylcyclohexyl)sulfanylaniline
CID 62720446
2-methyl-6-(3-methylcyclohexyl)sulfanylaniline
CID 79147333
4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
CID 43726303
3-methyl-2-(3-methylcyclohexyl)sulfanylaniline
CID 115551281
5-methyl-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
CID 62721519
N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide
CID 62722965
5-(3-methylcyclohexyl)sulfanyl-2-nitrobenzoic acid
CID 62720797
3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one
CID 81309164

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfanylaniline?
The IUPAC name of 4-(3-methylcyclohexyl)sulfanylaniline (CID 62722234) is 4-(3-methylcyclohexyl)sulfanylaniline.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfanylaniline?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfanylaniline is CC1CCCC(Sc2ccc(N)cc2)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfanylaniline?
The InChIKey is ZWHDPOQTDFPTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h5-8,10,13H,2-4,9,14H2,1H3.
What are the key properties of 4-(3-methylcyclohexyl)sulfanylaniline?
4-(3-methylcyclohexyl)sulfanylaniline has a molecular weight of 221.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)sulfanylaniline is sourced from PubChem (CID 62722234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).