3-(2,2-dimethylpropylamino)benzenesulfonamide;methane

C12H22N2O2S — CID 159144655

IUPAC3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
SMILESC.CC(C)(C)CNc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H18N2O2S.CH4/c1-11(2,3)8-13-9-5-4-6-10(7-9)16(12,14)15;/h4-7,13H,8H2,1-3H3,(H2,12,14,15);1H4
InChIKeyKINKAFNUFANHKD-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.43
Rot. Bonds3

About 3-(2,2-dimethylpropylamino)benzenesulfonamide;methane

3-(2,2-dimethylpropylamino)benzenesulfonamide;methane (PubChem CID 159144655) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)benzenesulfonamide;methane.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
PubChem CID159144655
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
SMILESC.CC(C)(C)CNc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H18N2O2S.CH4/c1-11(2,3)8-13-9-5-4-6-10(7-9)16(12,14)15;/h4-7,13H,8H2,1-3H3,(H2,12,14,15);1H4
InChIKeyKINKAFNUFANHKD-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
3-[(4-methylsulfonylphenyl)methylamino]benzenesulfonamide
CID 167770306
3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide
CID 28541147
1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)
CID 16685522
3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 28614899
1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine
CID 116512166
2-(ethylamino)-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55121317
3-(ethylsulfamoylamino)benzenesulfonamide
CID 114812411
2-methyl-2-(methylamino)-N-(3-sulfamoylphenyl)propanamide
CID 62834489
3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
CID 65264374
3-[(2,3,4-trihydroxyphenyl)methylamino]benzenesulfonamide
CID 107730329

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)benzenesulfonamide;methane?
The IUPAC name of 3-(2,2-dimethylpropylamino)benzenesulfonamide;methane (CID 159144655) is 3-(2,2-dimethylpropylamino)benzenesulfonamide;methane.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)benzenesulfonamide;methane?
The canonical SMILES for 3-(2,2-dimethylpropylamino)benzenesulfonamide;methane is C.CC(C)(C)CNc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(2,2-dimethylpropylamino)benzenesulfonamide;methane?
The InChIKey is KINKAFNUFANHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S.CH4/c1-11(2,3)8-13-9-5-4-6-10(7-9)16(12,14)15;/h4-7,13H,8H2,1-3H3,(H2,12,14,15);1H4.
What are the key properties of 3-(2,2-dimethylpropylamino)benzenesulfonamide;methane?
3-(2,2-dimethylpropylamino)benzenesulfonamide;methane has a molecular weight of 258.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)benzenesulfonamide;methane is sourced from PubChem (CID 159144655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).