3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine

C16H25NOS — CID 64753480

IUPAC3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
SMILESCc1cccc(CS(=O)C2C(C)CC(C)CC2N)c1
InChIInChI=1S/C16H25NOS/c1-11-5-4-6-14(8-11)10-19(18)16-13(3)7-12(2)9-15(16)17/h4-6,8,12-13,15-16H,7,9-10,17H2,1-3H3
InChIKeyLSXXYOYGAWBSLV-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.01
Rot. Bonds3

About 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine

3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine (PubChem CID 64753480) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
PubChem CID64753480
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
SMILESCc1cccc(CS(=O)C2C(C)CC(C)CC2N)c1
InChIInChI=1S/C16H25NOS/c1-11-5-4-6-14(8-11)10-19(18)16-13(3)7-12(2)9-15(16)17/h4-6,8,12-13,15-16H,7,9-10,17H2,1-3H3
InChIKeyLSXXYOYGAWBSLV-UHFFFAOYSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-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)sulfinyl-3,5-dimethylcyclohexan-1-amine
CID 64737324
N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658404
2-[(3-methylphenyl)methylsulfinyl]cycloheptane-1-carbonitrile
CID 64690852
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
3-[(3-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658206
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
2-benzylsulfanyl-3,5-dimethylcyclohexan-1-amine
CID 64735775
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
N-methyl-3-[(3-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659965
2-methyl-3-[(3-methylphenyl)methylsulfinyl]butanoic acid
CID 79414784
4-[(3-methylphenyl)methyl]oxolan-3-amine
CID 83484011

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine (CID 64753480) is 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine is Cc1cccc(CS(=O)C2C(C)CC(C)CC2N)c1.
What is the InChIKey of 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The InChIKey is LSXXYOYGAWBSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-11-5-4-6-14(8-11)10-19(18)16-13(3)7-12(2)9-15(16)17/h4-6,8,12-13,15-16H,7,9-10,17H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine is sourced from PubChem (CID 64753480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).