1-cyano-2-(sulfamoylamino)butane

C5H11N3O2S — CID 112573594

IUPAC1-cyano-2-(sulfamoylamino)butane
SMILESCCC(CC#N)NS(N)(=O)=O
InChIInChI=1S/C5H11N3O2S/c1-2-5(3-4-6)8-11(7,9)10/h5,8H,2-3H2,1H3,(H2,7,9,10)
InChIKeyZSUSUJZNTUPHQA-UHFFFAOYSA-N
MW177.23 g/mol
LogP-0.53
Rot. Bonds4

About 1-cyano-2-(sulfamoylamino)butane

1-cyano-2-(sulfamoylamino)butane (PubChem CID 112573594) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-cyano-2-(sulfamoylamino)butane.

Molecular Properties

Compound Name1-cyano-2-(sulfamoylamino)butane
PubChem CID112573594
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name1-cyano-2-(sulfamoylamino)butane
SMILESCCC(CC#N)NS(N)(=O)=O
InChIInChI=1S/C5H11N3O2S/c1-2-5(3-4-6)8-11(7,9)10/h5,8H,2-3H2,1H3,(H2,7,9,10)
InChIKeyZSUSUJZNTUPHQA-UHFFFAOYSA-N
XLogP-0.53
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(sulfamoylamino)butane?
The IUPAC name of 1-cyano-2-(sulfamoylamino)butane (CID 112573594) is 1-cyano-2-(sulfamoylamino)butane.
What is the SMILES notation for 1-cyano-2-(sulfamoylamino)butane?
The canonical SMILES for 1-cyano-2-(sulfamoylamino)butane is CCC(CC#N)NS(N)(=O)=O.
What is the InChIKey of 1-cyano-2-(sulfamoylamino)butane?
The InChIKey is ZSUSUJZNTUPHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-2-5(3-4-6)8-11(7,9)10/h5,8H,2-3H2,1H3,(H2,7,9,10).
What are the key properties of 1-cyano-2-(sulfamoylamino)butane?
1-cyano-2-(sulfamoylamino)butane has a molecular weight of 177.23 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(sulfamoylamino)butane is sourced from PubChem (CID 112573594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).