1-cyano-4-(sulfamoylamino)butane

C5H11N3O2S — CID 112689559

IUPAC1-cyano-4-(sulfamoylamino)butane
SMILESN#CCCCCNS(N)(=O)=O
InChIInChI=1S/C5H11N3O2S/c6-4-2-1-3-5-8-11(7,9)10/h8H,1-3,5H2,(H2,7,9,10)
InChIKeyKWORZFDHOSQIRD-UHFFFAOYSA-N
MW177.23 g/mol
LogP-0.53
Rot. Bonds5

About 1-cyano-4-(sulfamoylamino)butane

1-cyano-4-(sulfamoylamino)butane (PubChem CID 112689559) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-cyano-4-(sulfamoylamino)butane.

Molecular Properties

Compound Name1-cyano-4-(sulfamoylamino)butane
PubChem CID112689559
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name1-cyano-4-(sulfamoylamino)butane
SMILESN#CCCCCNS(N)(=O)=O
InChIInChI=1S/C5H11N3O2S/c6-4-2-1-3-5-8-11(7,9)10/h8H,1-3,5H2,(H2,7,9,10)
InChIKeyKWORZFDHOSQIRD-UHFFFAOYSA-N
XLogP-0.53
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(9-cyanononyl)methanedisulfonamide
CID 161288415
1-cyano-4-(dimethylsulfamoylamino)butane
CID 63297084
5-(ethylsulfamoylamino)pentanenitrile
CID 115638449
1-N,1-N',1-N",2-N-tetrakis(10-cyanodecyl)propane-1,1,1,2-tetrasulfonamide
CID 157401334
5-(tert-butylsulfamoylamino)pentanenitrile
CID 114807938
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
azane;1-(sulfamoylamino)pentane
CID 87509026
1-N,1-N',1-N",2-N-tetrakis(3-cyanopropyl)ethane-1,1,1,2-tetrasulfonamide
CID 159972367
3-(sulfamoylamino)propane-1-sulfonamide
CID 112689045
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495
1-(propan-2-ylamino)-3-(sulfamoylamino)propane
CID 114959323
1-N,2-N,3-N-tris(6-cyanohexyl)benzene-1,2,3-trisulfonamide
CID 161168550

Frequently Asked Questions

What is the IUPAC name of 1-cyano-4-(sulfamoylamino)butane?
The IUPAC name of 1-cyano-4-(sulfamoylamino)butane (CID 112689559) is 1-cyano-4-(sulfamoylamino)butane.
What is the SMILES notation for 1-cyano-4-(sulfamoylamino)butane?
The canonical SMILES for 1-cyano-4-(sulfamoylamino)butane is N#CCCCCNS(N)(=O)=O.
What is the InChIKey of 1-cyano-4-(sulfamoylamino)butane?
The InChIKey is KWORZFDHOSQIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c6-4-2-1-3-5-8-11(7,9)10/h8H,1-3,5H2,(H2,7,9,10).
What are the key properties of 1-cyano-4-(sulfamoylamino)butane?
1-cyano-4-(sulfamoylamino)butane has a molecular weight of 177.23 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-4-(sulfamoylamino)butane is sourced from PubChem (CID 112689559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).