N-(2-methylcyclohexyl)-3-methylsulfanylaniline

C14H21NS — CID 43105027

IUPACN-(2-methylcyclohexyl)-3-methylsulfanylaniline
SMILESCSc1cccc(NC2CCCCC2C)c1
InChIInChI=1S/C14H21NS/c1-11-6-3-4-9-14(11)15-12-7-5-8-13(10-12)16-2/h5,7-8,10-11,14-15H,3-4,6,9H2,1-2H3
InChIKeyGDAZZDDAAAHLHX-UHFFFAOYSA-N
MW235.40 g/mol
LogP4.40
Rot. Bonds3

About N-(2-methylcyclohexyl)-3-methylsulfanylaniline

N-(2-methylcyclohexyl)-3-methylsulfanylaniline (PubChem CID 43105027) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-methylsulfanylaniline
PubChem CID43105027
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(2-methylcyclohexyl)-3-methylsulfanylaniline
SMILESCSc1cccc(NC2CCCCC2C)c1
InChIInChI=1S/C14H21NS/c1-11-6-3-4-9-14(11)15-12-7-5-8-13(10-12)16-2/h5,7-8,10-11,14-15H,3-4,6,9H2,1-2H3
InChIKeyGDAZZDDAAAHLHX-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(3-methylsulfanylanilino)cyclohexan-1-ol
CID 102730841
2-(3-methylsulfanylanilino)cyclopentan-1-ol
CID 60886676
N-(2-methylcyclohexyl)-3-propan-2-ylaniline
CID 43101451
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
N-[(1S,3R)-3-methylcyclopentyl]-3-methylsulfanylaniline
CID 95376135
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
N-(2-methylcyclohexyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206430
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
N-(3-methylsulfanylphenyl)oxepan-4-amine
CID 65076766
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
1-N-(3-methylsulfanylphenyl)cyclobutane-1,3-diamine
CID 80559355
4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline
CID 43726302

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-methylsulfanylaniline?
The IUPAC name of N-(2-methylcyclohexyl)-3-methylsulfanylaniline (CID 43105027) is N-(2-methylcyclohexyl)-3-methylsulfanylaniline.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-methylsulfanylaniline?
The canonical SMILES for N-(2-methylcyclohexyl)-3-methylsulfanylaniline is CSc1cccc(NC2CCCCC2C)c1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-methylsulfanylaniline?
The InChIKey is GDAZZDDAAAHLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11-6-3-4-9-14(11)15-12-7-5-8-13(10-12)16-2/h5,7-8,10-11,14-15H,3-4,6,9H2,1-2H3.
What are the key properties of N-(2-methylcyclohexyl)-3-methylsulfanylaniline?
N-(2-methylcyclohexyl)-3-methylsulfanylaniline has a molecular weight of 235.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-methylsulfanylaniline is sourced from PubChem (CID 43105027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).