N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide

C9H15NO3S2 — CID 64555451

IUPACN-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cccs1
InChIInChI=1S/C9H15NO3S2/c1-3-9(2,7-11)10-15(12,13)8-5-4-6-14-8/h4-6,10-11H,3,7H2,1-2H3
InChIKeyVCIJIULTSOUURY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.19
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide

N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 64555451) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID64555451
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cccs1
InChIInChI=1S/C9H15NO3S2/c1-3-9(2,7-11)10-15(12,13)8-5-4-6-14-8/h4-6,10-11H,3,7H2,1-2H3
InChIKeyVCIJIULTSOUURY-UHFFFAOYSA-N
XLogP1.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide
CID 114294053
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 64551364
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
CID 93045702
2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide
CID 61121428
N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide
CID 25048155
N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 64557626
2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 64549084
N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 2317336
N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 64556227
2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 64557229
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
2-methyl-2-[2-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 119199790

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide (CID 64555451) is N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide is CCC(C)(CO)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is VCIJIULTSOUURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S2/c1-3-9(2,7-11)10-15(12,13)8-5-4-6-14-8/h4-6,10-11H,3,7H2,1-2H3.
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide?
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 249.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 64555451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).