1-cyano-2-(diethylsulfamoylamino)propane

C8H17N3O2S — CID 62094802

IUPAC1-cyano-2-(diethylsulfamoylamino)propane
SMILESCCN(CC)S(=O)(=O)NC(C)CC#N
InChIInChI=1S/C8H17N3O2S/c1-4-11(5-2)14(12,13)10-8(3)6-7-9/h8,10H,4-6H2,1-3H3
InChIKeyYIOQJZMSYIMYJO-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.46
Rot. Bonds6

About 1-cyano-2-(diethylsulfamoylamino)propane

1-cyano-2-(diethylsulfamoylamino)propane (PubChem CID 62094802) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-cyano-2-(diethylsulfamoylamino)propane.

Molecular Properties

Compound Name1-cyano-2-(diethylsulfamoylamino)propane
PubChem CID62094802
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name1-cyano-2-(diethylsulfamoylamino)propane
SMILESCCN(CC)S(=O)(=O)NC(C)CC#N
InChIInChI=1S/C8H17N3O2S/c1-4-11(5-2)14(12,13)10-8(3)6-7-9/h8,10H,4-6H2,1-3H3
InChIKeyYIOQJZMSYIMYJO-UHFFFAOYSA-N
XLogP0.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(diethylsulfamoylamino)propane?
The IUPAC name of 1-cyano-2-(diethylsulfamoylamino)propane (CID 62094802) is 1-cyano-2-(diethylsulfamoylamino)propane.
What is the SMILES notation for 1-cyano-2-(diethylsulfamoylamino)propane?
The canonical SMILES for 1-cyano-2-(diethylsulfamoylamino)propane is CCN(CC)S(=O)(=O)NC(C)CC#N.
What is the InChIKey of 1-cyano-2-(diethylsulfamoylamino)propane?
The InChIKey is YIOQJZMSYIMYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-4-11(5-2)14(12,13)10-8(3)6-7-9/h8,10H,4-6H2,1-3H3.
What are the key properties of 1-cyano-2-(diethylsulfamoylamino)propane?
1-cyano-2-(diethylsulfamoylamino)propane has a molecular weight of 219.31 g/mol, XLogP of 0.46, 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)propane is sourced from PubChem (CID 62094802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).