sodium;hydride;thietan-3-ylsulfamic acid

C3H8NNaO3S2 — CID 174221416

IUPACsodium;hydride;thietan-3-ylsulfamic acid
SMILESO=S(=O)(O)NC1CSC1.[H-].[Na+]
InChIInChI=1S/C3H7NO3S2.Na.H/c5-9(6,7)4-3-1-8-2-3;;/h3-4H,1-2H2,(H,5,6,7);;/q;+1;-1
InChIKeyPFKCZPGKTDCWFC-UHFFFAOYSA-N
MW193.22 g/mol
LogP-3.39
Rot. Bonds2

About sodium;hydride;thietan-3-ylsulfamic acid

sodium;hydride;thietan-3-ylsulfamic acid (PubChem CID 174221416) has the molecular formula C3H8NNaO3S2 and a molecular weight of 193.22 g/mol. Its IUPAC name is sodium;hydride;thietan-3-ylsulfamic acid.

Molecular Properties

Compound Namesodium;hydride;thietan-3-ylsulfamic acid
PubChem CID174221416
Molecular FormulaC3H8NNaO3S2
Molecular Weight193.22 g/mol
Exact Mass192.98
IUPAC Namesodium;hydride;thietan-3-ylsulfamic acid
SMILESO=S(=O)(O)NC1CSC1.[H-].[Na+]
InChIInChI=1S/C3H7NO3S2.Na.H/c5-9(6,7)4-3-1-8-2-3;;/h3-4H,1-2H2,(H,5,6,7);;/q;+1;-1
InChIKeyPFKCZPGKTDCWFC-UHFFFAOYSA-N
XLogP-3.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-3.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;thietan-3-ylsulfamic acid?
The IUPAC name of sodium;hydride;thietan-3-ylsulfamic acid (CID 174221416) is sodium;hydride;thietan-3-ylsulfamic acid.
What is the SMILES notation for sodium;hydride;thietan-3-ylsulfamic acid?
The canonical SMILES for sodium;hydride;thietan-3-ylsulfamic acid is O=S(=O)(O)NC1CSC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;thietan-3-ylsulfamic acid?
The InChIKey is PFKCZPGKTDCWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S2.Na.H/c5-9(6,7)4-3-1-8-2-3;;/h3-4H,1-2H2,(H,5,6,7);;/q;+1;-1.
What are the key properties of sodium;hydride;thietan-3-ylsulfamic acid?
sodium;hydride;thietan-3-ylsulfamic acid has a molecular weight of 193.22 g/mol, XLogP of -3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;thietan-3-ylsulfamic acid is sourced from PubChem (CID 174221416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).