4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine

C16H25NOS — CID 64656382

IUPAC4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(S(=O)c2ccccc2C)C1
InChIInChI=1S/C16H25NOS/c1-4-13-9-10-14(17-3)16(11-13)19(18)15-8-6-5-7-12(15)2/h5-8,13-14,16-17H,4,9-11H2,1-3H3
InChIKeyXWCOWIICMUZWLU-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.27
Rot. Bonds4

About 4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine

4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine (PubChem CID 64656382) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
PubChem CID64656382
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(S(=O)c2ccccc2C)C1
InChIInChI=1S/C16H25NOS/c1-4-13-9-10-14(17-3)16(11-13)19(18)15-8-6-5-7-12(15)2/h5-8,13-14,16-17H,4,9-11H2,1-3H3
InChIKeyXWCOWIICMUZWLU-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64654145
N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64655368
2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64659873
2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
CID 64651402
4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657752
N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64656783
4-ethyl-2-(2-fluorophenyl)sulfinylcyclohexan-1-amine
CID 64658139
N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656639
2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile
CID 64690449
N,4-dimethyl-2-(2-nitrophenyl)sulfinylcyclohexan-1-amine
CID 64653335
4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658995
2-(benzenesulfonyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 62917554

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine (CID 64656382) is 4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine is CCC1CCC(NC)C(S(=O)c2ccccc2C)C1.
What is the InChIKey of 4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine?
The InChIKey is XWCOWIICMUZWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-4-13-9-10-14(17-3)16(11-13)19(18)15-8-6-5-7-12(15)2/h5-8,13-14,16-17H,4,9-11H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine?
4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine is sourced from PubChem (CID 64656382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).