N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline

C15H23NO2S — CID 103753761

IUPACN-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline
SMILESCC1(CNc2ccccc2S(C)(=O)=O)CCCCC1
InChIInChI=1S/C15H23NO2S/c1-15(10-6-3-7-11-15)12-16-13-8-4-5-9-14(13)19(2,17)18/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3
InChIKeyDVYLEJQNOIJFAJ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.47
Rot. Bonds4

About N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline

N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline (PubChem CID 103753761) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline
PubChem CID103753761
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline
SMILESCC1(CNc2ccccc2S(C)(=O)=O)CCCCC1
InChIInChI=1S/C15H23NO2S/c1-15(10-6-3-7-11-15)12-16-13-8-4-5-9-14(13)19(2,17)18/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3
InChIKeyDVYLEJQNOIJFAJ-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(1-methylcyclopropyl)methyl]-3-methylsulfonylbenzene-1,2-diamine
CID 114099168
N-[(1-ethylcyclobutyl)methyl]-2-methylsulfonylaniline
CID 103741798
2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 112674911
1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 63821107
3-[(2-methylsulfonylanilino)methyl]oxolan-3-ol
CID 113337725
N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65110425
2-ethylsulfanyl-1-[(2-methylsulfonylanilino)methyl]cyclobutan-1-ol
CID 133358014
3-[(1-methylcyclobutyl)methylamino]-2-nitrobenzenesulfonamide
CID 86790973
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103970388
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031
2-(2-methylsulfonylanilino)acetaldehyde
CID 21244567

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline (CID 103753761) is N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline is CC1(CNc2ccccc2S(C)(=O)=O)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline?
The InChIKey is DVYLEJQNOIJFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(10-6-3-7-11-15)12-16-13-8-4-5-9-14(13)19(2,17)18/h4-5,8-9,16H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline?
N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline has a molecular weight of 281.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline is sourced from PubChem (CID 103753761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).