2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine

C17H27NS — CID 64620313

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1Sc1ccc(C)cc1C
InChIInChI=1S/C17H27NS/c1-13-10-11-16(14(2)12-13)19-17-9-7-5-4-6-8-15(17)18-3/h10-12,15,17-18H,4-9H2,1-3H3
InChIKeySPBJIMKOBLHPLD-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.71
Rot. Bonds3

About 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine

2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine (PubChem CID 64620313) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine
PubChem CID64620313
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1Sc1ccc(C)cc1C
InChIInChI=1S/C17H27NS/c1-13-10-11-16(14(2)12-13)19-17-9-7-5-4-6-8-15(17)18-3/h10-12,15,17-18H,4-9H2,1-3H3
InChIKeySPBJIMKOBLHPLD-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64613286
6-(2,4-dimethylphenyl)sulfanyl-N,2,2-trimethylcyclohexan-1-amine
CID 79847613
2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine
CID 64649807
2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64648291
2-(2,5-difluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
CID 64649448
2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
CID 64621640
N-methyl-2-phenylsulfanylcyclododecan-1-amine
CID 64619988
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine
CID 64647886
N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine
CID 64647674
2-(3,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64614934
N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64648280
2-(2,5-dimethylphenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64660066

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine (CID 64620313) is 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine is CNC1CCCCCCC1Sc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine?
The InChIKey is SPBJIMKOBLHPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-13-10-11-16(14(2)12-13)19-17-9-7-5-4-6-8-15(17)18-3/h10-12,15,17-18H,4-9H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine?
2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine is sourced from PubChem (CID 64620313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).