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

C17H27NOS — CID 64658120

IUPAC2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1S(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H27NOS/c1-12-6-7-15(13(2)10-12)20(19)16-11-17(3,4)9-8-14(16)18-5/h6-7,10,14,16,18H,8-9,11H2,1-5H3
InChIKeyVRIZAQDBYZHWAF-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.58
Rot. Bonds3

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

2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 64658120) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
PubChem CID64658120
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1S(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H27NOS/c1-12-6-7-15(13(2)10-12)20(19)16-11-17(3,4)9-8-14(16)18-5/h6-7,10,14,16,18H,8-9,11H2,1-5H3
InChIKeyVRIZAQDBYZHWAF-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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Related Compounds

2-(3,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64658495
6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine
CID 79847053
2-(2,5-dimethylphenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64660066
2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64657965
3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one
CID 64909608
N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64655368
2-butylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64655762
2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64659873
2-(2,4-dimethylphenyl)sulfinyl-4-methylcyclohexan-1-amine
CID 64658119
N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496366
5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 79863463
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544212

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine (CID 64658120) is 2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine is CNC1CCC(C)(C)CC1S(=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is VRIZAQDBYZHWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-12-6-7-15(13(2)10-12)20(19)16-11-17(3,4)9-8-14(16)18-5/h6-7,10,14,16,18H,8-9,11H2,1-5H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine?
2-(2,4-dimethylphenyl)sulfinyl-N,4,4-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 2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64658120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).