6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine

C17H27NOS — CID 79847053

IUPAC6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(S(=O)c2ccc(C)cc2C)CCCC1(C)C
InChIInChI=1S/C17H27NOS/c1-12-8-9-14(13(2)11-12)20(19)15-7-6-10-17(3,4)16(15)18-5/h8-9,11,15-16,18H,6-7,10H2,1-5H3
InChIKeyYNGSJQQBRKAVQR-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.58
Rot. Bonds3

About 6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine

6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine (PubChem CID 79847053) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine
PubChem CID79847053
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(S(=O)c2ccc(C)cc2C)CCCC1(C)C
InChIInChI=1S/C17H27NOS/c1-12-8-9-14(13(2)11-12)20(19)15-7-6-10-17(3,4)16(15)18-5/h8-9,11,15-16,18H,6-7,10H2,1-5H3
InChIKeyYNGSJQQBRKAVQR-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine?
The IUPAC name of 6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine (CID 79847053) is 6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine is CNC1C(S(=O)c2ccc(C)cc2C)CCCC1(C)C.
What is the InChIKey of 6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine?
The InChIKey is YNGSJQQBRKAVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-12-8-9-14(13(2)11-12)20(19)15-7-6-10-17(3,4)16(15)18-5/h8-9,11,15-16,18H,6-7,10H2,1-5H3.
What are the key properties of 6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine?
6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79847053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).