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

C12H20N2O3S — CID 64549084

IUPAC2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C12H20N2O3S/c1-4-12(3,8-15)14-18(16,17)11-9(2)6-5-7-10(11)13/h5-7,14-15H,4,8,13H2,1-3H3
InChIKeyHNHSGMQXYHVBON-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.02
Rot. Bonds5

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

2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide (PubChem CID 64549084) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide
PubChem CID64549084
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C12H20N2O3S/c1-4-12(3,8-15)14-18(16,17)11-9(2)6-5-7-10(11)13/h5-7,14-15H,4,8,13H2,1-3H3
InChIKeyHNHSGMQXYHVBON-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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

2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 66168995
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 64549704
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 64557626
2-amino-3,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327896
2-(2-amino-6-methylanilino)-2-methylbutan-1-ol
CID 115550597
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
3-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,5,6-trimethylbenzenesulfonamide
CID 106505256
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 79247641
4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 64557435

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide (CID 64549084) is 2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide is CCC(C)(CO)NS(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide?
The InChIKey is HNHSGMQXYHVBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-12(3,8-15)14-18(16,17)11-9(2)6-5-7-10(11)13/h5-7,14-15H,4,8,13H2,1-3H3.
What are the key properties of 2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide?
2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.02, 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-2-methylbutan-2-yl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 64549084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).