1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene

C12H21N3O2S — CID 43624625

IUPAC1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C12H21N3O2S/c1-12(2,9-13)10-5-7-11(8-6-10)14-18(16,17)15(3)4/h5-8,14H,9,13H2,1-4H3
InChIKeyBZPREURYJQEOFA-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.14
Rot. Bonds5

About 1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene

1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene (PubChem CID 43624625) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene
PubChem CID43624625
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C12H21N3O2S/c1-12(2,9-13)10-5-7-11(8-6-10)14-18(16,17)15(3)4/h5-8,14H,9,13H2,1-4H3
InChIKeyBZPREURYJQEOFA-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline
CID 114813837
4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114803608
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
4-(dimethylsulfamoylamino)benzoic acid
CID 653734
1-(dimethylsulfamoylamino)-4-formylbenzene
CID 58614334
2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
CID 82477614
1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene
CID 112979882
1-(2-bromoethyl)-4-(dimethylsulfamoylamino)benzene
CID 114296418
N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide
CID 79830757
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide
CID 104517127
1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene
CID 112982610
1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene
CID 110777028

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene (CID 43624625) is 1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene is CN(C)S(=O)(=O)Nc1ccc(C(C)(C)CN)cc1.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene?
The InChIKey is BZPREURYJQEOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-12(2,9-13)10-5-7-11(8-6-10)14-18(16,17)15(3)4/h5-8,14H,9,13H2,1-4H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene?
1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene has a molecular weight of 271.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 43624625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).