sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate

C4H10NNaO4S — CID 174221206

IUPACsodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate
SMILESCC(C)(CO)NS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H11NO4S.Na/c1-4(2,3-6)5-10(7,8)9;/h5-6H,3H2,1-2H3,(H,7,8,9);/q;+1/p-1
InChIKeyGLLKDNWKKVCZIT-UHFFFAOYSA-M
MW191.18 g/mol
LogP-4.19
Rot. Bonds3

About sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate

sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate (PubChem CID 174221206) has the molecular formula C4H10NNaO4S and a molecular weight of 191.18 g/mol. Its IUPAC name is sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate.

Molecular Properties

Compound Namesodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate
PubChem CID174221206
Molecular FormulaC4H10NNaO4S
Molecular Weight191.18 g/mol
Exact Mass191.02
IUPAC Namesodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate
SMILESCC(C)(CO)NS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H11NO4S.Na/c1-4(2,3-6)5-10(7,8)9;/h5-6H,3H2,1-2H3,(H,7,8,9);/q;+1/p-1
InChIKeyGLLKDNWKKVCZIT-UHFFFAOYSA-M
XLogP-4.19
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-4.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate?
The IUPAC name of sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate (CID 174221206) is sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate.
What is the SMILES notation for sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate?
The canonical SMILES for sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate is CC(C)(CO)NS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate?
The InChIKey is GLLKDNWKKVCZIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO4S.Na/c1-4(2,3-6)5-10(7,8)9;/h5-6H,3H2,1-2H3,(H,7,8,9);/q;+1/p-1.
What are the key properties of sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate?
sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate has a molecular weight of 191.18 g/mol, XLogP of -4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate is sourced from PubChem (CID 174221206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).