guanidine;2-methyloxirane;sulfamic acid

C4H14N4O4S — CID 88640000

IUPACguanidine;2-methyloxirane;sulfamic acid
SMILESCC1CO1.NS(=O)(=O)O.[H]N=C(N)N
InChIInChI=1S/C3H6O.CH5N3.H3NO3S/c1-3-2-4-3;2-1(3)4;1-5(2,3)4/h3H,2H2,1H3;(H5,2,3,4);(H3,1,2,3,4)
InChIKeyKKHZBQHDXNAZGK-UHFFFAOYSA-N
MW214.25 g/mol
LogP-2.01
Rot. Bonds

About guanidine;2-methyloxirane;sulfamic acid

guanidine;2-methyloxirane;sulfamic acid (PubChem CID 88640000) has the molecular formula C4H14N4O4S and a molecular weight of 214.25 g/mol. Its IUPAC name is guanidine;2-methyloxirane;sulfamic acid.

Molecular Properties

Compound Nameguanidine;2-methyloxirane;sulfamic acid
PubChem CID88640000
Molecular FormulaC4H14N4O4S
Molecular Weight214.25 g/mol
Exact Mass214.07
IUPAC Nameguanidine;2-methyloxirane;sulfamic acid
SMILESCC1CO1.NS(=O)(=O)O.[H]N=C(N)N
InChIInChI=1S/C3H6O.CH5N3.H3NO3S/c1-3-2-4-3;2-1(3)4;1-5(2,3)4/h3H,2H2,1H3;(H5,2,3,4);(H3,1,2,3,4)
InChIKeyKKHZBQHDXNAZGK-UHFFFAOYSA-N
XLogP-2.01
TPSA168.81 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Guanidine;propan-2-yl hydrogen sulfate
CID 175078270

Frequently Asked Questions

What is the IUPAC name of guanidine;2-methyloxirane;sulfamic acid?
The IUPAC name of guanidine;2-methyloxirane;sulfamic acid (CID 88640000) is guanidine;2-methyloxirane;sulfamic acid.
What is the SMILES notation for guanidine;2-methyloxirane;sulfamic acid?
The canonical SMILES for guanidine;2-methyloxirane;sulfamic acid is CC1CO1.NS(=O)(=O)O.[H]N=C(N)N.
What is the InChIKey of guanidine;2-methyloxirane;sulfamic acid?
The InChIKey is KKHZBQHDXNAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CH5N3.H3NO3S/c1-3-2-4-3;2-1(3)4;1-5(2,3)4/h3H,2H2,1H3;(H5,2,3,4);(H3,1,2,3,4).
What are the key properties of guanidine;2-methyloxirane;sulfamic acid?
guanidine;2-methyloxirane;sulfamic acid has a molecular weight of 214.25 g/mol, XLogP of -2.01, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;2-methyloxirane;sulfamic acid is sourced from PubChem (CID 88640000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).