N-(2-methylpropyl)-2-methylsulfonylaniline

C11H17NO2S — CID 43388031

IUPACN-(2-methylpropyl)-2-methylsulfonylaniline
SMILESCC(C)CNc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-9(2)8-12-10-6-4-5-7-11(10)15(3,13)14/h4-7,9,12H,8H2,1-3H3
InChIKeyKVAZLIXKAIVOHV-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.16
Rot. Bonds4

About N-(2-methylpropyl)-2-methylsulfonylaniline

N-(2-methylpropyl)-2-methylsulfonylaniline (PubChem CID 43388031) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-methylsulfonylaniline
PubChem CID43388031
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(2-methylpropyl)-2-methylsulfonylaniline
SMILESCC(C)CNc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-9(2)8-12-10-6-4-5-7-11(10)15(3,13)14/h4-7,9,12H,8H2,1-3H3
InChIKeyKVAZLIXKAIVOHV-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
CID 107159362
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylaniline
CID 115641037
2-[(2-methylsulfonylanilino)methyl]butanoic acid
CID 65223947
2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630343
2-(2-methylsulfonylanilino)acetaldehyde
CID 21244567
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylsulfonylaniline
CID 71978131
N-(6-methylheptan-2-yl)-2-methylsulfonylaniline
CID 61472578
N-[2-(4-chlorophenyl)butyl]-2-methylsulfonylaniline
CID 133375440
N-methyl-2-methylsulfonylaniline;hydrochloride
CID 68840183
2-methyl-N'-(2-methylsulfonylphenyl)pentane-1,5-diamine
CID 114151164
2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
CID 115310076

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-methylsulfonylaniline?
The IUPAC name of N-(2-methylpropyl)-2-methylsulfonylaniline (CID 43388031) is N-(2-methylpropyl)-2-methylsulfonylaniline.
What is the SMILES notation for N-(2-methylpropyl)-2-methylsulfonylaniline?
The canonical SMILES for N-(2-methylpropyl)-2-methylsulfonylaniline is CC(C)CNc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-2-methylsulfonylaniline?
The InChIKey is KVAZLIXKAIVOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(2)8-12-10-6-4-5-7-11(10)15(3,13)14/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-methylsulfonylaniline?
N-(2-methylpropyl)-2-methylsulfonylaniline has a molecular weight of 227.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-methylsulfonylaniline is sourced from PubChem (CID 43388031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).