1-cyano-2-(diethylsulfamoylamino)ethane

C7H15N3O2S — CID 60713630

IUPAC1-cyano-2-(diethylsulfamoylamino)ethane
SMILESCCN(CC)S(=O)(=O)NCCC#N
InChIInChI=1S/C7H15N3O2S/c1-3-10(4-2)13(11,12)9-7-5-6-8/h9H,3-5,7H2,1-2H3
InChIKeySGEQFLCFPMTRSS-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.08
Rot. Bonds6

About 1-cyano-2-(diethylsulfamoylamino)ethane

1-cyano-2-(diethylsulfamoylamino)ethane (PubChem CID 60713630) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-cyano-2-(diethylsulfamoylamino)ethane.

Molecular Properties

Compound Name1-cyano-2-(diethylsulfamoylamino)ethane
PubChem CID60713630
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name1-cyano-2-(diethylsulfamoylamino)ethane
SMILESCCN(CC)S(=O)(=O)NCCC#N
InChIInChI=1S/C7H15N3O2S/c1-3-10(4-2)13(11,12)9-7-5-6-8/h9H,3-5,7H2,1-2H3
InChIKeySGEQFLCFPMTRSS-UHFFFAOYSA-N
XLogP0.08
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.08
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-(diethylsulfamoylamino)ethane?
The IUPAC name of 1-cyano-2-(diethylsulfamoylamino)ethane (CID 60713630) is 1-cyano-2-(diethylsulfamoylamino)ethane.
What is the SMILES notation for 1-cyano-2-(diethylsulfamoylamino)ethane?
The canonical SMILES for 1-cyano-2-(diethylsulfamoylamino)ethane is CCN(CC)S(=O)(=O)NCCC#N.
What is the InChIKey of 1-cyano-2-(diethylsulfamoylamino)ethane?
The InChIKey is SGEQFLCFPMTRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-3-10(4-2)13(11,12)9-7-5-6-8/h9H,3-5,7H2,1-2H3.
What are the key properties of 1-cyano-2-(diethylsulfamoylamino)ethane?
1-cyano-2-(diethylsulfamoylamino)ethane has a molecular weight of 205.28 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(diethylsulfamoylamino)ethane is sourced from PubChem (CID 60713630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).