N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine

C17H27NOS — CID 79847405

IUPACN-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine
SMILESCCNC1C(S(=O)c2ccc(C)cc2)CCCC1(C)C
InChIInChI=1S/C17H27NOS/c1-5-18-16-15(7-6-12-17(16,3)4)20(19)14-10-8-13(2)9-11-14/h8-11,15-16,18H,5-7,12H2,1-4H3
InChIKeyNDGWDROFADFDPL-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.66
Rot. Bonds4

About N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine

N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine (PubChem CID 79847405) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine
PubChem CID79847405
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine
SMILESCCNC1C(S(=O)c2ccc(C)cc2)CCCC1(C)C
InChIInChI=1S/C17H27NOS/c1-5-18-16-15(7-6-12-17(16,3)4)20(19)14-10-8-13(2)9-11-14/h8-11,15-16,18H,5-7,12H2,1-4H3
InChIKeyNDGWDROFADFDPL-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine
CID 79847053
5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866348
N-ethyl-2,2-dimethyl-5-methylsulfinylcyclopentan-1-amine
CID 79862329
2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64652199
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836744
6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79834544
5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 114792164
6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79847566
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine (CID 79847405) is N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine is CCNC1C(S(=O)c2ccc(C)cc2)CCCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine?
The InChIKey is NDGWDROFADFDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-5-18-16-15(7-6-12-17(16,3)4)20(19)14-10-8-13(2)9-11-14/h8-11,15-16,18H,5-7,12H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine?
N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine is sourced from PubChem (CID 79847405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).