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

C9H22N2O3S — CID 79589473

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)CCO
InChIInChI=1S/C9H22N2O3S/c1-8(2)9(7-11(3)4)10-15(13,14)6-5-12/h8-10,12H,5-7H2,1-4H3
InChIKeySHPWEKLDCYEKOI-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.52
Rot. Bonds7

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

N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide (PubChem CID 79589473) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide
PubChem CID79589473
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)CCO
InChIInChI=1S/C9H22N2O3S/c1-8(2)9(7-11(3)4)10-15(13,14)6-5-12/h8-10,12H,5-7H2,1-4H3
InChIKeySHPWEKLDCYEKOI-UHFFFAOYSA-N
XLogP-0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide (CID 79589473) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide is CC(C)C(CN(C)C)NS(=O)(=O)CCO.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide?
The InChIKey is SHPWEKLDCYEKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-8(2)9(7-11(3)4)10-15(13,14)6-5-12/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.52, 7 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-hydroxyethanesulfonamide is sourced from PubChem (CID 79589473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).