2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide

C12H20N2O3S — CID 79247641

IUPAC2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC(CO)C(C)C
InChIInChI=1S/C12H20N2O3S/c1-8(2)11(7-15)14-18(16,17)12-9(3)5-4-6-10(12)13/h4-6,8,11,14-15H,7,13H2,1-3H3
InChIKeyQYGQVUCDOKWCRC-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.87
Rot. Bonds5

About 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide

2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide (PubChem CID 79247641) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
PubChem CID79247641
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC(CO)C(C)C
InChIInChI=1S/C12H20N2O3S/c1-8(2)11(7-15)14-18(16,17)12-9(3)5-4-6-10(12)13/h4-6,8,11,14-15H,7,13H2,1-3H3
InChIKeyQYGQVUCDOKWCRC-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.87
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

4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 79588447
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79588527
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 79256063
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 54950915
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide
CID 113498913
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzenesulfonamide
CID 79248112
2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 61105602
(2S)-2-(2-amino-6-methylanilino)-3-methylbutan-1-ol
CID 115550688
2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248033

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide (CID 79247641) is 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NC(CO)C(C)C.
What is the InChIKey of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide?
The InChIKey is QYGQVUCDOKWCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8(2)11(7-15)14-18(16,17)12-9(3)5-4-6-10(12)13/h4-6,8,11,14-15H,7,13H2,1-3H3.
What are the key properties of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide?
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 79247641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).