5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide

C13H22N2O3S — CID 106181343

IUPAC5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C13H22N2O3S/c1-9-6-7-10(14)8-11(9)19(17,18)15-12(2,3)13(4,5)16/h6-8,15-16H,14H2,1-5H3
InChIKeyNHAOGVNUCWWVPI-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.41
Rot. Bonds4

About 5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide

5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide (PubChem CID 106181343) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide
PubChem CID106181343
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C13H22N2O3S/c1-9-6-7-10(14)8-11(9)19(17,18)15-12(2,3)13(4,5)16/h6-8,15-16H,14H2,1-5H3
InChIKeyNHAOGVNUCWWVPI-UHFFFAOYSA-N
XLogP1.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 106181480
5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide
CID 66751883
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
3-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]benzoic acid
CID 106181236
4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 14113757
4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106181184
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
5-amino-2-methyl-N-(4-methylpent-1-yn-3-yl)benzenesulfonamide
CID 114201966
5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940395

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide (CID 106181343) is 5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of 5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is NHAOGVNUCWWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-6-7-10(14)8-11(9)19(17,18)15-12(2,3)13(4,5)16/h6-8,15-16H,14H2,1-5H3.
What are the key properties of 5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide?
5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106181343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).