N-(6-methylheptan-2-yl)-2-methylsulfonylaniline

C15H25NO2S — CID 61472578

IUPACN-(6-methylheptan-2-yl)-2-methylsulfonylaniline
SMILESCC(C)CCCC(C)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-12(2)8-7-9-13(3)16-14-10-5-6-11-15(14)19(4,17)18/h5-6,10-13,16H,7-9H2,1-4H3
InChIKeyLGELOTRSTBDUCI-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.72
Rot. Bonds7

About N-(6-methylheptan-2-yl)-2-methylsulfonylaniline

N-(6-methylheptan-2-yl)-2-methylsulfonylaniline (PubChem CID 61472578) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-methylsulfonylaniline
PubChem CID61472578
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(6-methylheptan-2-yl)-2-methylsulfonylaniline
SMILESCC(C)CCCC(C)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-12(2)8-7-9-13(3)16-14-10-5-6-11-15(14)19(4,17)18/h5-6,10-13,16H,7-9H2,1-4H3
InChIKeyLGELOTRSTBDUCI-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630343
N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598753
N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-2-methylsulfonylaniline
CID 71870962
N-methyl-2-(octan-2-ylamino)benzenesulfonamide
CID 43749903
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031
N-hexan-2-yl-2-(trifluoromethylsulfonyl)aniline
CID 63541038
N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 63925494
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-6-methylheptan-2-amine
CID 83169673
N-methyl-2-methylsulfonylaniline;hydrochloride
CID 68840183
2-(2-methylsulfonylanilino)propanamide
CID 43402598
N-(5-methylheptan-3-yl)-2-methylsulfonylaniline
CID 43724656

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-methylsulfonylaniline?
The IUPAC name of N-(6-methylheptan-2-yl)-2-methylsulfonylaniline (CID 61472578) is N-(6-methylheptan-2-yl)-2-methylsulfonylaniline.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-methylsulfonylaniline?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-methylsulfonylaniline is CC(C)CCCC(C)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-methylsulfonylaniline?
The InChIKey is LGELOTRSTBDUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(2)8-7-9-13(3)16-14-10-5-6-11-15(14)19(4,17)18/h5-6,10-13,16H,7-9H2,1-4H3.
What are the key properties of N-(6-methylheptan-2-yl)-2-methylsulfonylaniline?
N-(6-methylheptan-2-yl)-2-methylsulfonylaniline has a molecular weight of 283.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-methylsulfonylaniline is sourced from PubChem (CID 61472578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).