1-cyano-2-(dimethylsulfamoylamino)ethane

C5H11N3O2S — CID 62653853

IUPAC1-cyano-2-(dimethylsulfamoylamino)ethane
SMILESCN(C)S(=O)(=O)NCCC#N
InChIInChI=1S/C5H11N3O2S/c1-8(2)11(9,10)7-5-3-4-6/h7H,3,5H2,1-2H3
InChIKeyTWNMJVCEDLRRON-UHFFFAOYSA-N
MW177.23 g/mol
LogP-0.70
Rot. Bonds4

About 1-cyano-2-(dimethylsulfamoylamino)ethane

1-cyano-2-(dimethylsulfamoylamino)ethane (PubChem CID 62653853) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-cyano-2-(dimethylsulfamoylamino)ethane.

Molecular Properties

Compound Name1-cyano-2-(dimethylsulfamoylamino)ethane
PubChem CID62653853
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name1-cyano-2-(dimethylsulfamoylamino)ethane
SMILESCN(C)S(=O)(=O)NCCC#N
InChIInChI=1S/C5H11N3O2S/c1-8(2)11(9,10)7-5-3-4-6/h7H,3,5H2,1-2H3
InChIKeyTWNMJVCEDLRRON-UHFFFAOYSA-N
XLogP-0.70
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
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-2-(dimethylsulfamoylamino)ethane?
The IUPAC name of 1-cyano-2-(dimethylsulfamoylamino)ethane (CID 62653853) is 1-cyano-2-(dimethylsulfamoylamino)ethane.
What is the SMILES notation for 1-cyano-2-(dimethylsulfamoylamino)ethane?
The canonical SMILES for 1-cyano-2-(dimethylsulfamoylamino)ethane is CN(C)S(=O)(=O)NCCC#N.
What is the InChIKey of 1-cyano-2-(dimethylsulfamoylamino)ethane?
The InChIKey is TWNMJVCEDLRRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-8(2)11(9,10)7-5-3-4-6/h7H,3,5H2,1-2H3.
What are the key properties of 1-cyano-2-(dimethylsulfamoylamino)ethane?
1-cyano-2-(dimethylsulfamoylamino)ethane has a molecular weight of 177.23 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(dimethylsulfamoylamino)ethane is sourced from PubChem (CID 62653853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).