1-cyano-3-(sulfamoylamino)propane

C4H9N3O2S — CID 112573769

IUPAC1-cyano-3-(sulfamoylamino)propane
SMILESN#CCCCNS(N)(=O)=O
InChIInChI=1S/C4H9N3O2S/c5-3-1-2-4-7-10(6,8)9/h7H,1-2,4H2,(H2,6,8,9)
InChIKeyXTPHGGULYVIIHM-UHFFFAOYSA-N
MW163.20 g/mol
LogP-0.92
Rot. Bonds4

About 1-cyano-3-(sulfamoylamino)propane

1-cyano-3-(sulfamoylamino)propane (PubChem CID 112573769) has the molecular formula C4H9N3O2S and a molecular weight of 163.20 g/mol. Its IUPAC name is 1-cyano-3-(sulfamoylamino)propane.

Molecular Properties

Compound Name1-cyano-3-(sulfamoylamino)propane
PubChem CID112573769
Molecular FormulaC4H9N3O2S
Molecular Weight163.20 g/mol
Exact Mass163.04
IUPAC Name1-cyano-3-(sulfamoylamino)propane
SMILESN#CCCCNS(N)(=O)=O
InChIInChI=1S/C4H9N3O2S/c5-3-1-2-4-7-10(6,8)9/h7H,1-2,4H2,(H2,6,8,9)
InChIKeyXTPHGGULYVIIHM-UHFFFAOYSA-N
XLogP-0.92
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-(sulfamoylamino)propane?
The IUPAC name of 1-cyano-3-(sulfamoylamino)propane (CID 112573769) is 1-cyano-3-(sulfamoylamino)propane.
What is the SMILES notation for 1-cyano-3-(sulfamoylamino)propane?
The canonical SMILES for 1-cyano-3-(sulfamoylamino)propane is N#CCCCNS(N)(=O)=O.
What is the InChIKey of 1-cyano-3-(sulfamoylamino)propane?
The InChIKey is XTPHGGULYVIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2S/c5-3-1-2-4-7-10(6,8)9/h7H,1-2,4H2,(H2,6,8,9).
What are the key properties of 1-cyano-3-(sulfamoylamino)propane?
1-cyano-3-(sulfamoylamino)propane has a molecular weight of 163.20 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-(sulfamoylamino)propane is sourced from PubChem (CID 112573769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).