N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide

C13H22N2O3S — CID 81241641

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1ccccc1O
InChIInChI=1S/C13H22N2O3S/c1-10(2)11(9-15(3)4)14-19(17,18)13-8-6-5-7-12(13)16/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyBCCQIXXOEWDIHS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.26
Rot. Bonds6

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide (PubChem CID 81241641) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide
PubChem CID81241641
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1ccccc1O
InChIInChI=1S/C13H22N2O3S/c1-10(2)11(9-15(3)4)14-19(17,18)13-8-6-5-7-12(13)16/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyBCCQIXXOEWDIHS-UHFFFAOYSA-N
XLogP1.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide
CID 106052029
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
CID 61478066
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61479202
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79568750
N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106051994

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide (CID 81241641) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide is CC(C)C(CN(C)C)NS(=O)(=O)c1ccccc1O.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide?
The InChIKey is BCCQIXXOEWDIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)11(9-15(3)4)14-19(17,18)13-8-6-5-7-12(13)16/h5-8,10-11,14,16H,9H2,1-4H3.
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 81241641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).