ethane;N-methylformamide;sulfuric acid

C6H21NO9S2 — CID 175117492

IUPACethane;N-methylformamide;sulfuric acid
SMILESCC.CC.CNC=O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C2H5NO.2C2H6.2H2O4S/c1-3-2-4;2*1-2;2*1-5(2,3)4/h2H,1H3,(H,3,4);2*1-2H3;2*(H2,1,2,3,4)
InChIKeyZBLRBTSUSPEUOB-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.11
Rot. Bonds1

About ethane;N-methylformamide;sulfuric acid

ethane;N-methylformamide;sulfuric acid (PubChem CID 175117492) has the molecular formula C6H21NO9S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethane;N-methylformamide;sulfuric acid.

Molecular Properties

Compound Nameethane;N-methylformamide;sulfuric acid
PubChem CID175117492
Molecular FormulaC6H21NO9S2
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Nameethane;N-methylformamide;sulfuric acid
SMILESCC.CC.CNC=O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C2H5NO.2C2H6.2H2O4S/c1-3-2-4;2*1-2;2*1-5(2,3)4/h2H,1H3,(H,3,4);2*1-2H3;2*(H2,1,2,3,4)
InChIKeyZBLRBTSUSPEUOB-UHFFFAOYSA-N
XLogP0.11
TPSA178.30 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 175536868
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CID 174865721
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N-hydroxyformamide;methanesulfonic acid
CID 174740545
dimethyl sulfate;N-methylformamide
CID 158782735
ethane;methanesulfonic acid
CID 87194848
cyclopropane;N-methylformamide
CID 145062498
cyclobutane;N-methylformamide
CID 144809083
methane;tris(N-methylacetamide);N-methylformamide
CID 158395174
methanol;sulfuric acid
CID 174902694
ethane;N-methylformamide;octane
CID 164590964
ethane;ethenyl hydrogen sulfate;sulfuric acid
CID 175600765

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylformamide;sulfuric acid?
The IUPAC name of ethane;N-methylformamide;sulfuric acid (CID 175117492) is ethane;N-methylformamide;sulfuric acid.
What is the SMILES notation for ethane;N-methylformamide;sulfuric acid?
The canonical SMILES for ethane;N-methylformamide;sulfuric acid is CC.CC.CNC=O.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of ethane;N-methylformamide;sulfuric acid?
The InChIKey is ZBLRBTSUSPEUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.2C2H6.2H2O4S/c1-3-2-4;2*1-2;2*1-5(2,3)4/h2H,1H3,(H,3,4);2*1-2H3;2*(H2,1,2,3,4).
What are the key properties of ethane;N-methylformamide;sulfuric acid?
ethane;N-methylformamide;sulfuric acid has a molecular weight of 315.37 g/mol, XLogP of 0.11, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylformamide;sulfuric acid is sourced from PubChem (CID 175117492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).