1-cyano-1-(diethylsulfamoylamino)ethane

C7H15N3O2S — CID 61122842

IUPAC1-cyano-1-(diethylsulfamoylamino)ethane
SMILESCCN(CC)S(=O)(=O)NC(C)C#N
InChIInChI=1S/C7H15N3O2S/c1-4-10(5-2)13(11,12)9-7(3)6-8/h7,9H,4-5H2,1-3H3
InChIKeyVQMCZPMKZKGWKM-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.07
Rot. Bonds5

About 1-cyano-1-(diethylsulfamoylamino)ethane

1-cyano-1-(diethylsulfamoylamino)ethane (PubChem CID 61122842) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-cyano-1-(diethylsulfamoylamino)ethane.

Molecular Properties

Compound Name1-cyano-1-(diethylsulfamoylamino)ethane
PubChem CID61122842
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name1-cyano-1-(diethylsulfamoylamino)ethane
SMILESCCN(CC)S(=O)(=O)NC(C)C#N
InChIInChI=1S/C7H15N3O2S/c1-4-10(5-2)13(11,12)9-7(3)6-8/h7,9H,4-5H2,1-3H3
InChIKeyVQMCZPMKZKGWKM-UHFFFAOYSA-N
XLogP0.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(diethylsulfamoylamino)ethane?
The IUPAC name of 1-cyano-1-(diethylsulfamoylamino)ethane (CID 61122842) is 1-cyano-1-(diethylsulfamoylamino)ethane.
What is the SMILES notation for 1-cyano-1-(diethylsulfamoylamino)ethane?
The canonical SMILES for 1-cyano-1-(diethylsulfamoylamino)ethane is CCN(CC)S(=O)(=O)NC(C)C#N.
What is the InChIKey of 1-cyano-1-(diethylsulfamoylamino)ethane?
The InChIKey is VQMCZPMKZKGWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-4-10(5-2)13(11,12)9-7(3)6-8/h7,9H,4-5H2,1-3H3.
What are the key properties of 1-cyano-1-(diethylsulfamoylamino)ethane?
1-cyano-1-(diethylsulfamoylamino)ethane has a molecular weight of 205.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(diethylsulfamoylamino)ethane is sourced from PubChem (CID 61122842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).