2-methyl-6-(3-methylcyclohexyl)sulfanylaniline

C14H21NS — CID 79147333

IUPAC2-methyl-6-(3-methylcyclohexyl)sulfanylaniline
SMILESCc1cccc(SC2CCCC(C)C2)c1N
InChIInChI=1S/C14H21NS/c1-10-5-3-7-12(9-10)16-13-8-4-6-11(2)14(13)15/h4,6,8,10,12H,3,5,7,9,15H2,1-2H3
InChIKeyODRBBCFZARRARP-UHFFFAOYSA-N
MW235.40 g/mol
LogP4.25
Rot. Bonds2

About 2-methyl-6-(3-methylcyclohexyl)sulfanylaniline

2-methyl-6-(3-methylcyclohexyl)sulfanylaniline (PubChem CID 79147333) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-methyl-6-(3-methylcyclohexyl)sulfanylaniline.

Molecular Properties

Compound Name2-methyl-6-(3-methylcyclohexyl)sulfanylaniline
PubChem CID79147333
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-methyl-6-(3-methylcyclohexyl)sulfanylaniline
SMILESCc1cccc(SC2CCCC(C)C2)c1N
InChIInChI=1S/C14H21NS/c1-10-5-3-7-12(9-10)16-13-8-4-6-11(2)14(13)15/h4,6,8,10,12H,3,5,7,9,15H2,1-2H3
InChIKeyODRBBCFZARRARP-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 54.25
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-methyl-2-(3-methylcyclohexyl)sulfanylaniline
CID 115551281
[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine
CID 62720819
2-methyl-6-(oxetan-3-ylsulfanyl)aniline
CID 103718906
2-(2-aminocyclohexyl)sulfanyl-6-methylaniline
CID 106440999
(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 78951607
4-(3-methylcyclohexyl)sulfanylaniline
CID 62722234
N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
CID 107110933
3-chloro-4-(3-methylcyclohexyl)sulfanylaniline
CID 63537225
2-(3-methylcyclohexyl)sulfanylbenzoic acid
CID 62721517
1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanone
CID 62721722
2-(cyclobutylmethylsulfanyl)-6-methylaniline
CID 79146458
3-(difluoromethyl)-4-(3-methylcyclohexyl)sulfanylaniline
CID 63736565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylcyclohexyl)sulfanylaniline?
The IUPAC name of 2-methyl-6-(3-methylcyclohexyl)sulfanylaniline (CID 79147333) is 2-methyl-6-(3-methylcyclohexyl)sulfanylaniline.
What is the SMILES notation for 2-methyl-6-(3-methylcyclohexyl)sulfanylaniline?
The canonical SMILES for 2-methyl-6-(3-methylcyclohexyl)sulfanylaniline is Cc1cccc(SC2CCCC(C)C2)c1N.
What is the InChIKey of 2-methyl-6-(3-methylcyclohexyl)sulfanylaniline?
The InChIKey is ODRBBCFZARRARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10-5-3-7-12(9-10)16-13-8-4-6-11(2)14(13)15/h4,6,8,10,12H,3,5,7,9,15H2,1-2H3.
What are the key properties of 2-methyl-6-(3-methylcyclohexyl)sulfanylaniline?
2-methyl-6-(3-methylcyclohexyl)sulfanylaniline has a molecular weight of 235.40 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylcyclohexyl)sulfanylaniline is sourced from PubChem (CID 79147333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).