N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide

C8H19NO3S — CID 60865128

IUPACN-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO3S/c1-7(2)9(5-6-10)13(11,12)8(3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyTUCMSDHNGWTOKW-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.43
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide

N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide (PubChem CID 60865128) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide
PubChem CID60865128
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO3S/c1-7(2)9(5-6-10)13(11,12)8(3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyTUCMSDHNGWTOKW-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
CID 61457845
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
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1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
N-(2-hydroxyethyl)-N-propan-2-ylmorpholine-4-sulfonamide
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N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
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1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
CID 112689196
N-(2-hydroxyethyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide
CID 43574652
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propane-2-sulfonamide
CID 64584958
[2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium
CID 129254185
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
CID 61053391
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 43574734
2-amino-N-(2-hydroxyethyl)-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62153161

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide (CID 60865128) is N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide is CC(C)N(CCO)S(=O)(=O)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide?
The InChIKey is TUCMSDHNGWTOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(2)9(5-6-10)13(11,12)8(3)4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide?
N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 60865128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).