N-(2-ethylcyclohexyl)-2-propylsulfonylaniline

C17H27NO2S — CID 61470216

IUPACN-(2-ethylcyclohexyl)-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccccc1NC1CCCCC1CC
InChIInChI=1S/C17H27NO2S/c1-3-13-21(19,20)17-12-8-7-11-16(17)18-15-10-6-5-9-14(15)4-2/h7-8,11-12,14-15,18H,3-6,9-10,13H2,1-2H3
InChIKeyRDZGLVIIXCFUFG-UHFFFAOYSA-N
MW309.47 g/mol
LogP4.25
Rot. Bonds6

About N-(2-ethylcyclohexyl)-2-propylsulfonylaniline

N-(2-ethylcyclohexyl)-2-propylsulfonylaniline (PubChem CID 61470216) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-2-propylsulfonylaniline.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-2-propylsulfonylaniline
PubChem CID61470216
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-(2-ethylcyclohexyl)-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccccc1NC1CCCCC1CC
InChIInChI=1S/C17H27NO2S/c1-3-13-21(19,20)17-12-8-7-11-16(17)18-15-10-6-5-9-14(15)4-2/h7-8,11-12,14-15,18H,3-6,9-10,13H2,1-2H3
InChIKeyRDZGLVIIXCFUFG-UHFFFAOYSA-N
XLogP4.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-propylsulfonylanilino)cyclohexyl]methanol
CID 106362332
2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol
CID 100666033
N-(4-chlorocyclohexyl)-2-propylsulfonylaniline
CID 65027980
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343
N-(2-propylsulfonylphenyl)pyrrolidin-3-amine
CID 62380993
1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
CID 106738112
N-ethyl-2-propylsulfonylaniline
CID 43453634
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362109
N-(2-ethylsulfonylphenyl)-2-methylthian-3-amine
CID 79957215
N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline
CID 113483352

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-2-propylsulfonylaniline?
The IUPAC name of N-(2-ethylcyclohexyl)-2-propylsulfonylaniline (CID 61470216) is N-(2-ethylcyclohexyl)-2-propylsulfonylaniline.
What is the SMILES notation for N-(2-ethylcyclohexyl)-2-propylsulfonylaniline?
The canonical SMILES for N-(2-ethylcyclohexyl)-2-propylsulfonylaniline is CCCS(=O)(=O)c1ccccc1NC1CCCCC1CC.
What is the InChIKey of N-(2-ethylcyclohexyl)-2-propylsulfonylaniline?
The InChIKey is RDZGLVIIXCFUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-13-21(19,20)17-12-8-7-11-16(17)18-15-10-6-5-9-14(15)4-2/h7-8,11-12,14-15,18H,3-6,9-10,13H2,1-2H3.
What are the key properties of N-(2-ethylcyclohexyl)-2-propylsulfonylaniline?
N-(2-ethylcyclohexyl)-2-propylsulfonylaniline has a molecular weight of 309.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-2-propylsulfonylaniline is sourced from PubChem (CID 61470216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).