ethane;sulfamic acid

C2H9NO3S — CID 172846940

IUPACethane;sulfamic acid
SMILESCC.NS(=O)(=O)O
InChIInChI=1S/C2H6.H3NO3S/c1-2;1-5(2,3)4/h1-2H3;(H3,1,2,3,4)
InChIKeyXNZBZSXKOBWDFU-UHFFFAOYSA-N
MW127.17 g/mol
LogP-0.23
Rot. Bonds

About ethane;sulfamic acid

ethane;sulfamic acid (PubChem CID 172846940) has the molecular formula C2H9NO3S and a molecular weight of 127.17 g/mol. Its IUPAC name is ethane;sulfamic acid.

Molecular Properties

Compound Nameethane;sulfamic acid
PubChem CID172846940
Molecular FormulaC2H9NO3S
Molecular Weight127.17 g/mol
Exact Mass127.03
IUPAC Nameethane;sulfamic acid
SMILESCC.NS(=O)(=O)O
InChIInChI=1S/C2H6.H3NO3S/c1-2;1-5(2,3)4/h1-2H3;(H3,1,2,3,4)
InChIKeyXNZBZSXKOBWDFU-UHFFFAOYSA-N
XLogP-0.23
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 5-0.23
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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Related Compounds

azane;sulfamic acid
CID 172811731
sulfamic acid;yttrium
CID 159754211
methane;sulfamic acid
CID 87277660
CID 131847531
CID 131847531
azane;sulfamic acid;sulfamide
CID 174286592
nickel;sulfamic acid;sulfuric acid
CID 173415674
ethane;sulfamide
CID 161040536
ethane;sulfuric acid
CID 174865721
strontium;hydride;sulfamic acid;hydrate
CID 175447547
calcium;magnesium;hydride;sulfamic acid
CID 175059340
acetonitrile;sulfamic acid
CID 157342367
ethane;methanesulfonic acid
CID 87194848

Frequently Asked Questions

What is the IUPAC name of ethane;sulfamic acid?
The IUPAC name of ethane;sulfamic acid (CID 172846940) is ethane;sulfamic acid.
What is the SMILES notation for ethane;sulfamic acid?
The canonical SMILES for ethane;sulfamic acid is CC.NS(=O)(=O)O.
What is the InChIKey of ethane;sulfamic acid?
The InChIKey is XNZBZSXKOBWDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.H3NO3S/c1-2;1-5(2,3)4/h1-2H3;(H3,1,2,3,4).
What are the key properties of ethane;sulfamic acid?
ethane;sulfamic acid has a molecular weight of 127.17 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;sulfamic acid is sourced from PubChem (CID 172846940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).