1-prop-2-enyl-1-prop-2-enylsulfonylguanidine

C7H13N3O2S — CID 174278110

IUPAC1-prop-2-enyl-1-prop-2-enylsulfonylguanidine
SMILES[H]/N=C(\N)N(CC=C)S(=O)(=O)CC=C
InChIInChI=1S/C7H13N3O2S/c1-3-5-10(7(8)9)13(11,12)6-4-2/h3-4H,1-2,5-6H2,(H3,8,9)
InChIKeyJQVIPAWLYCPLNQ-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.12
Rot. Bonds5

About 1-prop-2-enyl-1-prop-2-enylsulfonylguanidine

1-prop-2-enyl-1-prop-2-enylsulfonylguanidine (PubChem CID 174278110) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-prop-2-enyl-1-prop-2-enylsulfonylguanidine.

Molecular Properties

Compound Name1-prop-2-enyl-1-prop-2-enylsulfonylguanidine
PubChem CID174278110
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-prop-2-enyl-1-prop-2-enylsulfonylguanidine
SMILES[H]/N=C(\N)N(CC=C)S(=O)(=O)CC=C
InChIInChI=1S/C7H13N3O2S/c1-3-5-10(7(8)9)13(11,12)6-4-2/h3-4H,1-2,5-6H2,(H3,8,9)
InChIKeyJQVIPAWLYCPLNQ-UHFFFAOYSA-N
XLogP-0.12
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-1-prop-2-enylsulfonylguanidine?
The IUPAC name of 1-prop-2-enyl-1-prop-2-enylsulfonylguanidine (CID 174278110) is 1-prop-2-enyl-1-prop-2-enylsulfonylguanidine.
What is the SMILES notation for 1-prop-2-enyl-1-prop-2-enylsulfonylguanidine?
The canonical SMILES for 1-prop-2-enyl-1-prop-2-enylsulfonylguanidine is [H]/N=C(\N)N(CC=C)S(=O)(=O)CC=C.
What is the InChIKey of 1-prop-2-enyl-1-prop-2-enylsulfonylguanidine?
The InChIKey is JQVIPAWLYCPLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-3-5-10(7(8)9)13(11,12)6-4-2/h3-4H,1-2,5-6H2,(H3,8,9).
What are the key properties of 1-prop-2-enyl-1-prop-2-enylsulfonylguanidine?
1-prop-2-enyl-1-prop-2-enylsulfonylguanidine has a molecular weight of 203.27 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1-prop-2-enylsulfonylguanidine is sourced from PubChem (CID 174278110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).