sodium;cyclopropylsulfamic acid;hydride

C3H8NNaO3S — CID 173075066

IUPACsodium;cyclopropylsulfamic acid;hydride
SMILESO=S(=O)(O)NC1CC1.[H-].[Na+]
InChIInChI=1S/C3H7NO3S.Na.H/c5-8(6,7)4-3-1-2-3;;/h3-4H,1-2H2,(H,5,6,7);;/q;+1;-1
InChIKeyZTKJDMCCZWYJHV-UHFFFAOYSA-N
MW161.16 g/mol
LogP-3.34
Rot. Bonds2

About sodium;cyclopropylsulfamic acid;hydride

sodium;cyclopropylsulfamic acid;hydride (PubChem CID 173075066) has the molecular formula C3H8NNaO3S and a molecular weight of 161.16 g/mol. Its IUPAC name is sodium;cyclopropylsulfamic acid;hydride.

Molecular Properties

Compound Namesodium;cyclopropylsulfamic acid;hydride
PubChem CID173075066
Molecular FormulaC3H8NNaO3S
Molecular Weight161.16 g/mol
Exact Mass161.01
IUPAC Namesodium;cyclopropylsulfamic acid;hydride
SMILESO=S(=O)(O)NC1CC1.[H-].[Na+]
InChIInChI=1S/C3H7NO3S.Na.H/c5-8(6,7)4-3-1-2-3;;/h3-4H,1-2H2,(H,5,6,7);;/q;+1;-1
InChIKeyZTKJDMCCZWYJHV-UHFFFAOYSA-N
XLogP-3.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-3.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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;cyclopropylsulfamic acid;hydride?
The IUPAC name of sodium;cyclopropylsulfamic acid;hydride (CID 173075066) is sodium;cyclopropylsulfamic acid;hydride.
What is the SMILES notation for sodium;cyclopropylsulfamic acid;hydride?
The canonical SMILES for sodium;cyclopropylsulfamic acid;hydride is O=S(=O)(O)NC1CC1.[H-].[Na+].
What is the InChIKey of sodium;cyclopropylsulfamic acid;hydride?
The InChIKey is ZTKJDMCCZWYJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S.Na.H/c5-8(6,7)4-3-1-2-3;;/h3-4H,1-2H2,(H,5,6,7);;/q;+1;-1.
What are the key properties of sodium;cyclopropylsulfamic acid;hydride?
sodium;cyclopropylsulfamic acid;hydride has a molecular weight of 161.16 g/mol, XLogP of -3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyclopropylsulfamic acid;hydride is sourced from PubChem (CID 173075066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).