N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide

C10H23NO3S — CID 64556421

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-6-10(5,7-12)11-15(13,14)8-9(2,3)4/h11-12H,6-8H2,1-5H3
InChIKeyYEKGAMAAYFROAG-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.11
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide

N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 64556421) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID64556421
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-6-10(5,7-12)11-15(13,14)8-9(2,3)4/h11-12H,6-8H2,1-5H3
InChIKeyYEKGAMAAYFROAG-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide (CID 64556421) is N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide is CCC(C)(CO)NS(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is YEKGAMAAYFROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-6-10(5,7-12)11-15(13,14)8-9(2,3)4/h11-12H,6-8H2,1-5H3.
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 64556421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).