(1-hydroxy-2-methylpropan-2-yl)sulfamic acid

C4H11NO4S — CID 174221207

IUPAC(1-hydroxy-2-methylpropan-2-yl)sulfamic acid
SMILESCC(C)(CO)NS(=O)(=O)O
InChIInChI=1S/C4H11NO4S/c1-4(2,3-6)5-10(7,8)9/h5-6H,3H2,1-2H3,(H,7,8,9)
InChIKeyVWKAZDUWYRYQJV-UHFFFAOYSA-N
MW169.20 g/mol
LogP-0.85
Rot. Bonds3

About (1-hydroxy-2-methylpropan-2-yl)sulfamic acid

(1-hydroxy-2-methylpropan-2-yl)sulfamic acid (PubChem CID 174221207) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)sulfamic acid.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)sulfamic acid
PubChem CID174221207
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)sulfamic acid
SMILESCC(C)(CO)NS(=O)(=O)O
InChIInChI=1S/C4H11NO4S/c1-4(2,3-6)5-10(7,8)9/h5-6H,3H2,1-2H3,(H,7,8,9)
InChIKeyVWKAZDUWYRYQJV-UHFFFAOYSA-N
XLogP-0.85
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate
CID 174221206
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
CID 63289872
benzene;tert-butylsulfamic acid
CID 67910902
1-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)methanesulfonamide
CID 61453787
N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
2-ethyl-2-methylpropane-1,3-diol;methanesulfonic acid
CID 71389262
(2-bromo-3,3-dimethylbutan-2-yl)sulfamic acid
CID 88840954
2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43501855
N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide
CID 59560469
1-hydroxy-2-methyl-2-(sulfamoylamino)butane
CID 112696365
(2S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acid
CID 7004980
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 43501825

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl)sulfamic acid?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)sulfamic acid (CID 174221207) is (1-hydroxy-2-methylpropan-2-yl)sulfamic acid.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)sulfamic acid?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)sulfamic acid is CC(C)(CO)NS(=O)(=O)O.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)sulfamic acid?
The InChIKey is VWKAZDUWYRYQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4S/c1-4(2,3-6)5-10(7,8)9/h5-6H,3H2,1-2H3,(H,7,8,9).
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)sulfamic acid?
(1-hydroxy-2-methylpropan-2-yl)sulfamic acid has a molecular weight of 169.20 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl)sulfamic acid is sourced from PubChem (CID 174221207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).