5-methyl-2-(4-methylcyclohexyl)sulfanylaniline

C14H21NS — CID 64749109

IUPAC5-methyl-2-(4-methylcyclohexyl)sulfanylaniline
SMILESCc1ccc(SC2CCC(C)CC2)c(N)c1
InChIInChI=1S/C14H21NS/c1-10-3-6-12(7-4-10)16-14-8-5-11(2)9-13(14)15/h5,8-10,12H,3-4,6-7,15H2,1-2H3
InChIKeyNNVSZDMHXLPVDF-UHFFFAOYSA-N
MW235.40 g/mol
LogP4.25
Rot. Bonds2

About 5-methyl-2-(4-methylcyclohexyl)sulfanylaniline

5-methyl-2-(4-methylcyclohexyl)sulfanylaniline (PubChem CID 64749109) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 5-methyl-2-(4-methylcyclohexyl)sulfanylaniline.

Molecular Properties

Compound Name5-methyl-2-(4-methylcyclohexyl)sulfanylaniline
PubChem CID64749109
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name5-methyl-2-(4-methylcyclohexyl)sulfanylaniline
SMILESCc1ccc(SC2CCC(C)CC2)c(N)c1
InChIInChI=1S/C14H21NS/c1-10-3-6-12(7-4-10)16-14-8-5-11(2)9-13(14)15/h5,8-10,12H,3-4,6-7,15H2,1-2H3
InChIKeyNNVSZDMHXLPVDF-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

4-(4-methylcyclohexyl)sulfanylpyridin-3-amine
CID 64748714
5-methyl-2-(6-oxaspiro[4.5]decan-9-ylsulfanyl)aniline
CID 79905416
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-5-methylaniline
CID 79906435
2-(4-aminocyclohexyl)sulfanyl-5-bromoaniline
CID 62806887
5-chloro-2-(4-ethylcyclohexyl)sulfanylaniline
CID 64747924
5-bromo-2-(4-ethylcyclohexyl)sulfanylaniline
CID 64749505
(2-cyclopentylsulfanyl-5-methylphenyl)methanamine
CID 107931471
6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine
CID 115331161
3-(2-amino-4-methylphenyl)sulfanyl-1-cyclopropylpyrrolidine-2,5-dione
CID 43638572
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
4-methyl-2-(4-methylcyclohexyl)oxyaniline
CID 64748056
4-(2,4-dimethylphenyl)sulfanylcyclohexan-1-one
CID 117034491

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylcyclohexyl)sulfanylaniline?
The IUPAC name of 5-methyl-2-(4-methylcyclohexyl)sulfanylaniline (CID 64749109) is 5-methyl-2-(4-methylcyclohexyl)sulfanylaniline.
What is the SMILES notation for 5-methyl-2-(4-methylcyclohexyl)sulfanylaniline?
The canonical SMILES for 5-methyl-2-(4-methylcyclohexyl)sulfanylaniline is Cc1ccc(SC2CCC(C)CC2)c(N)c1.
What is the InChIKey of 5-methyl-2-(4-methylcyclohexyl)sulfanylaniline?
The InChIKey is NNVSZDMHXLPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10-3-6-12(7-4-10)16-14-8-5-11(2)9-13(14)15/h5,8-10,12H,3-4,6-7,15H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylcyclohexyl)sulfanylaniline?
5-methyl-2-(4-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 5-methyl-2-(4-methylcyclohexyl)sulfanylaniline is sourced from PubChem (CID 64749109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).