N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide

C7H17NO3S — CID 64555453

IUPACN-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)CC
InChIInChI=1S/C7H17NO3S/c1-4-7(3,6-9)8-12(10,11)5-2/h8-9H,4-6H2,1-3H3
InChIKeyKOWRSWZKWMIOTR-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.09
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide

N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide (PubChem CID 64555453) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
PubChem CID64555453
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)CC
InChIInChI=1S/C7H17NO3S/c1-4-7(3,6-9)8-12(10,11)5-2/h8-9H,4-6H2,1-3H3
InChIKeyKOWRSWZKWMIOTR-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 64556421
1-hydroxy-2-methyl-2-(sulfamoylamino)butane
CID 112696365
ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate
CID 64557036
N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 64557626
4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoylmethyl]benzoic acid
CID 64549094
N-(1-hydroxy-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361290
methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate
CID 114464222
N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64556226
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 64555451
2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 64557229
2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide
CID 106169682

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide (CID 64555453) is N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide is CCC(C)(CO)NS(=O)(=O)CC.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide?
The InChIKey is KOWRSWZKWMIOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-4-7(3,6-9)8-12(10,11)5-2/h8-9H,4-6H2,1-3H3.
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide?
N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.09, 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)ethanesulfonamide is sourced from PubChem (CID 64555453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).