3-hydroxy-N-propan-2-ylpropane-1-sulfonamide

C6H15NO3S — CID 64982777

IUPAC3-hydroxy-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCO
InChIInChI=1S/C6H15NO3S/c1-6(2)7-11(9,10)5-3-4-8/h6-8H,3-5H2,1-2H3
InChIKeyLQCVISQGLLBYMK-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.30
Rot. Bonds5

About 3-hydroxy-N-propan-2-ylpropane-1-sulfonamide

3-hydroxy-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 64982777) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-hydroxy-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-propan-2-ylpropane-1-sulfonamide
PubChem CID64982777
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name3-hydroxy-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCO
InChIInChI=1S/C6H15NO3S/c1-6(2)7-11(9,10)5-3-4-8/h6-8H,3-5H2,1-2H3
InChIKeyLQCVISQGLLBYMK-UHFFFAOYSA-N
XLogP-0.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-octan-4-ylpropane-1-sulfonamide
CID 106022437
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
1-bromo-N-(5-hydroxypentan-2-yl)methanesulfonamide
CID 83086597
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide
CID 114135134
N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide
CID 170039874
2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide
CID 79589472
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
18-(2-phenylphenyl)-N-propan-2-yloctadecane-1-sulfonamide
CID 139664705
N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide
CID 82939293
N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
CID 144745139
N-(4-hydroxybutan-2-yl)-2-methylsulfonylethanesulfonamide
CID 115477904

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-propan-2-ylpropane-1-sulfonamide (CID 64982777) is 3-hydroxy-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-propan-2-ylpropane-1-sulfonamide is CC(C)NS(=O)(=O)CCCO.
What is the InChIKey of 3-hydroxy-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is LQCVISQGLLBYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-6(2)7-11(9,10)5-3-4-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-hydroxy-N-propan-2-ylpropane-1-sulfonamide?
3-hydroxy-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 64982777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).