N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline

C17H27NO2S — CID 43724620

IUPACN-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline
SMILESCC(C)(C)C1CCC(Nc2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C17H27NO2S/c1-17(2,3)13-9-11-14(12-10-13)18-15-7-5-6-8-16(15)21(4,19)20/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyGZNZSXZYWCCUAR-UHFFFAOYSA-N
MW309.47 g/mol
LogP4.11
Rot. Bonds3

About N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline

N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline (PubChem CID 43724620) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline
PubChem CID43724620
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline
SMILESCC(C)(C)C1CCC(Nc2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C17H27NO2S/c1-17(2,3)13-9-11-14(12-10-13)18-15-7-5-6-8-16(15)21(4,19)20/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyGZNZSXZYWCCUAR-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonyl)-N-methyl-5-phenylaniline
CID 68014793
N-benzyl-2-(octylamino)benzenesulfonamide
CID 44601979
3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
CID 2976082
N-ethyl-2-(phenylsulfonyl) aniline
CID 129874725
4-[(1R)-2-amino-1-(4-propan-2-ylphenyl)sulfonylethyl]-N,N-dimethylaniline
CID 52904798
N-cyclopent-3-en-1-yl-2-ethylsulfonylaniline
CID 91636349
2,2-dioxo-N-(2-propan-2-ylphenyl)-2lambda6-thiaspiro[3.5]nonan-7-amine
CID 132390695
N-(5-Fluoro-2-(methylsulfonyl)phenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 11551484
N-[[(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)cyclohexen-1-yl]methyl]-4-methylsulfonylaniline
CID 16049438
N-[[(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)cyclohexen-1-yl]methyl]-2-methylsulfonylaniline
CID 16049440
5-fluoro-2-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 58707262
5-fluoro-2-methylsulfonyl-N-(1-phenylethyl)aniline
CID 58707268

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline?
The IUPAC name of N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline (CID 43724620) is N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline is CC(C)(C)C1CCC(Nc2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline?
The InChIKey is GZNZSXZYWCCUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-17(2,3)13-9-11-14(12-10-13)18-15-7-5-6-8-16(15)21(4,19)20/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline?
N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline has a molecular weight of 309.47 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline is sourced from PubChem (CID 43724620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).