3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide

C9H21NO3S — CID 94684465

IUPAC3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)CC(C)(C)CO
InChIInChI=1S/C9H21NO3S/c1-8(2)5-10-14(12,13)7-9(3,4)6-11/h8,10-11H,5-7H2,1-4H3
InChIKeyOEAXDPPDJYAIOJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.58
Rot. Bonds6

About 3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide

3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide (PubChem CID 94684465) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide
PubChem CID94684465
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)CC(C)(C)CO
InChIInChI=1S/C9H21NO3S/c1-8(2)5-10-14(12,13)7-9(3,4)6-11/h8,10-11H,5-7H2,1-4H3
InChIKeyOEAXDPPDJYAIOJ-UHFFFAOYSA-N
XLogP0.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815684
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
N-(2-methylpropyl)sulfamate
CID 59847903
N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide
CID 103836501
3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815587
N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871
2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid
CID 114814696
N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94692974
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
N-(3-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94695849

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide (CID 94684465) is 3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide is CC(C)CNS(=O)(=O)CC(C)(C)CO.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide?
The InChIKey is OEAXDPPDJYAIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(2)5-10-14(12,13)7-9(3,4)6-11/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide?
3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-N-(2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 94684465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).