2-cyano-1-(sulfamoylamino)propane

C4H9N3O2S — CID 112696448

IUPAC2-cyano-1-(sulfamoylamino)propane
SMILESCC(C#N)CNS(N)(=O)=O
InChIInChI=1S/C4H9N3O2S/c1-4(2-5)3-7-10(6,8)9/h4,7H,3H2,1H3,(H2,6,8,9)
InChIKeyOLSXXGVSPRVMLD-UHFFFAOYSA-N
MW163.20 g/mol
LogP-1.06
Rot. Bonds3

About 2-cyano-1-(sulfamoylamino)propane

2-cyano-1-(sulfamoylamino)propane (PubChem CID 112696448) has the molecular formula C4H9N3O2S and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-cyano-1-(sulfamoylamino)propane.

Molecular Properties

Compound Name2-cyano-1-(sulfamoylamino)propane
PubChem CID112696448
Molecular FormulaC4H9N3O2S
Molecular Weight163.20 g/mol
Exact Mass163.04
IUPAC Name2-cyano-1-(sulfamoylamino)propane
SMILESCC(C#N)CNS(N)(=O)=O
InChIInChI=1S/C4H9N3O2S/c1-4(2-5)3-7-10(6,8)9/h4,7H,3H2,1H3,(H2,6,8,9)
InChIKeyOLSXXGVSPRVMLD-UHFFFAOYSA-N
XLogP-1.06
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(methylsulfamoyl)propan-1-amine
CID 84282192
2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
CID 114807841
[(2-Methylpropyl)sulfamoyl]amine
CID 53629300
2-Methyl-1-[tritio(tritiosulfonyl)amino]propane
CID 59303268
N-(2-methylpropyl)sulfamate
CID 59847903
3-(2-Cyanoethylsulfamoylamino)propanenitrile
CID 164156957
2-Methyl-1-(sulfamoylamino)propane;hydrochloride
CID 172817647
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane
CID 35431036
N-(2-cyanopropyl)methanesulfonamide
CID 62651127
2-Cyano-1-(diethylsulfamoylamino)propane
CID 62652043
2-Cyano-1-(dimethylsulfamoylamino)propane
CID 62652220
1-Cyano-2-(dimethylsulfamoylamino)ethane
CID 62653853

Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-(sulfamoylamino)propane?
The IUPAC name of 2-cyano-1-(sulfamoylamino)propane (CID 112696448) is 2-cyano-1-(sulfamoylamino)propane.
What is the SMILES notation for 2-cyano-1-(sulfamoylamino)propane?
The canonical SMILES for 2-cyano-1-(sulfamoylamino)propane is CC(C#N)CNS(N)(=O)=O.
What is the InChIKey of 2-cyano-1-(sulfamoylamino)propane?
The InChIKey is OLSXXGVSPRVMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2S/c1-4(2-5)3-7-10(6,8)9/h4,7H,3H2,1H3,(H2,6,8,9).
What are the key properties of 2-cyano-1-(sulfamoylamino)propane?
2-cyano-1-(sulfamoylamino)propane has a molecular weight of 163.20 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-(sulfamoylamino)propane is sourced from PubChem (CID 112696448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).