N-methyloxaziridin-3-amine;sulfuric acid

C2H8N2O5S — CID 174957797

IUPACN-methyloxaziridin-3-amine;sulfuric acid
SMILESCNC1NO1.O=S(=O)(O)O
InChIInChI=1S/C2H6N2O.H2O4S/c1-3-2-4-5-2;1-5(2,3)4/h2-4H,1H3;(H2,1,2,3,4)
InChIKeyKNCQINBNFXXIMT-UHFFFAOYSA-N
MW172.16 g/mol
LogP-1.63
Rot. Bonds1

About N-methyloxaziridin-3-amine;sulfuric acid

N-methyloxaziridin-3-amine;sulfuric acid (PubChem CID 174957797) has the molecular formula C2H8N2O5S and a molecular weight of 172.16 g/mol. Its IUPAC name is N-methyloxaziridin-3-amine;sulfuric acid.

Molecular Properties

Compound NameN-methyloxaziridin-3-amine;sulfuric acid
PubChem CID174957797
Molecular FormulaC2H8N2O5S
Molecular Weight172.16 g/mol
Exact Mass172.02
IUPAC NameN-methyloxaziridin-3-amine;sulfuric acid
SMILESCNC1NO1.O=S(=O)(O)O
InChIInChI=1S/C2H6N2O.H2O4S/c1-3-2-4-5-2;1-5(2,3)4/h2-4H,1H3;(H2,1,2,3,4)
InChIKeyKNCQINBNFXXIMT-UHFFFAOYSA-N
XLogP-1.63
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyloxaziridin-3-amine;sulfuric acid?
The IUPAC name of N-methyloxaziridin-3-amine;sulfuric acid (CID 174957797) is N-methyloxaziridin-3-amine;sulfuric acid.
What is the SMILES notation for N-methyloxaziridin-3-amine;sulfuric acid?
The canonical SMILES for N-methyloxaziridin-3-amine;sulfuric acid is CNC1NO1.O=S(=O)(O)O.
What is the InChIKey of N-methyloxaziridin-3-amine;sulfuric acid?
The InChIKey is KNCQINBNFXXIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O.H2O4S/c1-3-2-4-5-2;1-5(2,3)4/h2-4H,1H3;(H2,1,2,3,4).
What are the key properties of N-methyloxaziridin-3-amine;sulfuric acid?
N-methyloxaziridin-3-amine;sulfuric acid has a molecular weight of 172.16 g/mol, XLogP of -1.63, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloxaziridin-3-amine;sulfuric acid is sourced from PubChem (CID 174957797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).