4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline

C14H25N3O2S — CID 114813837

IUPAC4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline
SMILESCC(C)CNS(=O)(=O)Nc1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C14H25N3O2S/c1-11(2)9-16-20(18,19)17-13-7-5-12(6-8-13)14(3,4)10-15/h5-8,11,16-17H,9-10,15H2,1-4H3
InChIKeyFSMBBUQQGNHEJD-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.83
Rot. Bonds7

About 4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline

4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline (PubChem CID 114813837) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline
PubChem CID114813837
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline
SMILESCC(C)CNS(=O)(=O)Nc1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C14H25N3O2S/c1-11(2)9-16-20(18,19)17-13-7-5-12(6-8-13)14(3,4)10-15/h5-8,11,16-17H,9-10,15H2,1-4H3
InChIKeyFSMBBUQQGNHEJD-UHFFFAOYSA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114803608
1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene
CID 43624625
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114815397
2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114813987
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide
CID 104517127
N-(2-methylpropylsulfamoyl)-2,3-dihydro-1H-indol-5-amine
CID 114815982
3-bromo-N-(2-methylpropylsulfamoyl)aniline
CID 114815403
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-propan-2-yloxyacetamide
CID 112601696
2,6-dichloro-4-(2-methylpropylsulfamoylamino)phenol
CID 114815573
2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
CID 82477614

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline (CID 114813837) is 4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline is CC(C)CNS(=O)(=O)Nc1ccc(C(C)(C)CN)cc1.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline?
The InChIKey is FSMBBUQQGNHEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(2)9-16-20(18,19)17-13-7-5-12(6-8-13)14(3,4)10-15/h5-8,11,16-17H,9-10,15H2,1-4H3.
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline?
4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline has a molecular weight of 299.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline is sourced from PubChem (CID 114813837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).