[4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine

C15H23NO2S — CID 64699285

IUPAC[4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine
SMILESCc1cccc(S(=O)(=O)C2CC(C)CCC2CN)c1
InChIInChI=1S/C15H23NO2S/c1-11-4-3-5-14(8-11)19(17,18)15-9-12(2)6-7-13(15)10-16/h3-5,8,12-13,15H,6-7,9-10,16H2,1-2H3
InChIKeyLILVACJXAABBLL-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.53
Rot. Bonds3

About [4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine

[4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine (PubChem CID 64699285) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is [4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine
PubChem CID64699285
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name[4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine
SMILESCc1cccc(S(=O)(=O)C2CC(C)CCC2CN)c1
InChIInChI=1S/C15H23NO2S/c1-11-4-3-5-14(8-11)19(17,18)15-9-12(2)6-7-13(15)10-16/h3-5,8,12-13,15H,6-7,9-10,16H2,1-2H3
InChIKeyLILVACJXAABBLL-UHFFFAOYSA-N
XLogP2.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine
CID 64698481
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 99999683
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273
(3-methylphenyl)sulfonylazanide
CID 158627668
3-methylbenzenesulfonamide
CID 69347063
2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64676411
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
[2-(benzenesulfonyl)cycloheptyl]methanamine
CID 64698780
4,4-dimethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-ol
CID 106585290
ethane;methylcyclopropane;1,3-xylene
CID 142338532

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine (CID 64699285) is [4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine is Cc1cccc(S(=O)(=O)C2CC(C)CCC2CN)c1.
What is the InChIKey of [4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine?
The InChIKey is LILVACJXAABBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-4-3-5-14(8-11)19(17,18)15-9-12(2)6-7-13(15)10-16/h3-5,8,12-13,15H,6-7,9-10,16H2,1-2H3.
What are the key properties of [4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine?
[4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(3-methylphenyl)sulfonylcyclohexyl]methanamine is sourced from PubChem (CID 64699285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).