1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide

C12H20N2O2S — CID 29032685

IUPAC1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H20N2O2S/c1-4-12(2,3)14-17(15,16)9-10-5-7-11(13)8-6-10/h5-8,14H,4,9,13H2,1-3H3
InChIKeyQHIZFBSKXSWNNS-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.88
Rot. Bonds5

About 1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide

1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide (PubChem CID 29032685) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide
PubChem CID29032685
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H20N2O2S/c1-4-12(2,3)14-17(15,16)9-10-5-7-11(13)8-6-10/h5-8,14H,4,9,13H2,1-3H3
InChIKeyQHIZFBSKXSWNNS-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylbutan-2-ylsulfamoylmethyl)benzenecarbothioamide
CID 28524624
N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide
CID 106031496
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
CID 94616410
4-(3-methylpentan-3-ylsulfamoylmethyl)benzenecarbothioamide
CID 106329112
1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide
CID 106331914
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
3-(benzylsulfonylamino)-3-methylbutanoic acid
CID 64700945
4-methyl-4-[(4-methylphenyl)methylsulfonylamino]pentanoic acid
CID 122068751
4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoylmethyl]benzoic acid
CID 64549094
1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide
CID 65037107
3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 16790437

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide (CID 29032685) is 1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide is CCC(C)(C)NS(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide?
The InChIKey is QHIZFBSKXSWNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-12(2,3)14-17(15,16)9-10-5-7-11(13)8-6-10/h5-8,14H,4,9,13H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide?
1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 29032685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).