N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine

C15H23NO2S — CID 64674992

IUPACN,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C15H23NO2S/c1-11-8-9-13(16-3)15(10-11)19(17,18)14-7-5-4-6-12(14)2/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyYNHDVBLIPPNFDV-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.55
Rot. Bonds3

About N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine

N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine (PubChem CID 64674992) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine
PubChem CID64674992
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C15H23NO2S/c1-11-8-9-13(16-3)15(10-11)19(17,18)14-7-5-4-6-12(14)2/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyYNHDVBLIPPNFDV-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64647537
2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine
CID 64644849
N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine
CID 79862613
2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64676122
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
CID 64904691
2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638401
2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine
CID 64674288
2-(2-fluorophenyl)sulfonyl-N-methylcycloheptan-1-amine
CID 64645152
2-(2-bromophenyl)sulfonyl-N-methylcyclooctan-1-amine
CID 64647628
2-(benzenesulfonyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 62917554
N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
CID 106584789

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine (CID 64674992) is N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine is CNC1CCC(C)CC1S(=O)(=O)c1ccccc1C.
What is the InChIKey of N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine?
The InChIKey is YNHDVBLIPPNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-8-9-13(16-3)15(10-11)19(17,18)14-7-5-4-6-12(14)2/h4-7,11,13,15-16H,8-10H2,1-3H3.
What are the key properties of N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine?
N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64674992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).