sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate

C7H11N2NaO4S — CID 174221570

IUPACsodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate
SMILESCC(C)(C)c1cc(NS(=O)(=O)[O-])no1.[Na+]
InChIInChI=1S/C7H12N2O4S.Na/c1-7(2,3)5-4-6(8-13-5)9-14(10,11)12;/h4H,1-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1
InChIKeyWCJKBDLZGGPINS-UHFFFAOYSA-M
MW242.23 g/mol
LogP-2.15
Rot. Bonds2

About sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate

sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate (PubChem CID 174221570) has the molecular formula C7H11N2NaO4S and a molecular weight of 242.23 g/mol. Its IUPAC name is sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate.

Molecular Properties

Compound Namesodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate
PubChem CID174221570
Molecular FormulaC7H11N2NaO4S
Molecular Weight242.23 g/mol
Exact Mass242.03
IUPAC Namesodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate
SMILESCC(C)(C)c1cc(NS(=O)(=O)[O-])no1.[Na+]
InChIInChI=1S/C7H12N2O4S.Na/c1-7(2,3)5-4-6(8-13-5)9-14(10,11)12;/h4H,1-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1
InChIKeyWCJKBDLZGGPINS-UHFFFAOYSA-M
XLogP-2.15
TPSA95.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze sodium N-(5-tert-butyl-1,2-oxazol-3-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

Related Compounds

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 100634685
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide
CID 143651754
CID 58990227
CID 58990227
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
CID 59662620
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide
CID 25004378
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 59662655
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylthiourea
CID 19687473
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide
CID 58198607
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide
CID 67337779
5-tert-butyl-3-chloro-1,2-oxazole
CID 84650983

Frequently Asked Questions

What is the IUPAC name of sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate?
The IUPAC name of sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate (CID 174221570) is sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate.
What is the SMILES notation for sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate?
The canonical SMILES for sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate is CC(C)(C)c1cc(NS(=O)(=O)[O-])no1.[Na+].
What is the InChIKey of sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate?
The InChIKey is WCJKBDLZGGPINS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N2O4S.Na/c1-7(2,3)5-4-6(8-13-5)9-14(10,11)12;/h4H,1-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate?
sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate has a molecular weight of 242.23 g/mol, XLogP of -2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate is sourced from PubChem (CID 174221570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).