1-cyano-1-(dimethylsulfamoylamino)ethane

C5H11N3O2S — CID 61123241

IUPAC1-cyano-1-(dimethylsulfamoylamino)ethane
SMILESCC(C#N)NS(=O)(=O)N(C)C
InChIInChI=1S/C5H11N3O2S/c1-5(4-6)7-11(9,10)8(2)3/h5,7H,1-3H3
InChIKeyQTWMTOIFRKWNSO-UHFFFAOYSA-N
MW177.23 g/mol
LogP-0.71
Rot. Bonds3

About 1-cyano-1-(dimethylsulfamoylamino)ethane

1-cyano-1-(dimethylsulfamoylamino)ethane (PubChem CID 61123241) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-cyano-1-(dimethylsulfamoylamino)ethane.

Molecular Properties

Compound Name1-cyano-1-(dimethylsulfamoylamino)ethane
PubChem CID61123241
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name1-cyano-1-(dimethylsulfamoylamino)ethane
SMILESCC(C#N)NS(=O)(=O)N(C)C
InChIInChI=1S/C5H11N3O2S/c1-5(4-6)7-11(9,10)8(2)3/h5,7H,1-3H3
InChIKeyQTWMTOIFRKWNSO-UHFFFAOYSA-N
XLogP-0.71
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyano-1-(dimethylsulfamoylamino)ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl{[(methylpropyl)amino]sulfonyl}amine
CID 4285151
1-Cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
CID 114807792
Dimethyl n-isopropylsulfamide
CID 3834904
2-[[Methyl(propan-2-yl)sulfamoyl]amino]propane
CID 22591038
Diethyl n-isopropylsulfamide
CID 53256756
2-[Methyl(methylsulfamoyl)amino]propane
CID 60768545
CID 88743482
CID 88743482
2-[Ethyl(ethylsulfamoyl)amino]propane
CID 89245378
1-Cyano-2-[propan-2-yl(sulfamoyl)amino]ethane
CID 112692582
3-(Cyclopropylsulfamoylamino)propanenitrile
CID 114807837
2-[[Ethyl(methyl)sulfamoyl]amino]propane
CID 131225975
2-[[Iodomethyl(methyl)sulfamoyl]amino]propane
CID 138623255

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)ethane?
The IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)ethane (CID 61123241) is 1-cyano-1-(dimethylsulfamoylamino)ethane.
What is the SMILES notation for 1-cyano-1-(dimethylsulfamoylamino)ethane?
The canonical SMILES for 1-cyano-1-(dimethylsulfamoylamino)ethane is CC(C#N)NS(=O)(=O)N(C)C.
What is the InChIKey of 1-cyano-1-(dimethylsulfamoylamino)ethane?
The InChIKey is QTWMTOIFRKWNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-5(4-6)7-11(9,10)8(2)3/h5,7H,1-3H3.
What are the key properties of 1-cyano-1-(dimethylsulfamoylamino)ethane?
1-cyano-1-(dimethylsulfamoylamino)ethane has a molecular weight of 177.23 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(dimethylsulfamoylamino)ethane is sourced from PubChem (CID 61123241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).