1-cyano-1-(diethylsulfamoylamino)propane

C8H17N3O2S — CID 61124252

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

About 1-cyano-1-(diethylsulfamoylamino)propane

1-cyano-1-(diethylsulfamoylamino)propane (PubChem CID 61124252) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-cyano-1-(diethylsulfamoylamino)propane.

Molecular Properties

Compound Name1-cyano-1-(diethylsulfamoylamino)propane
PubChem CID61124252
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name1-cyano-1-(diethylsulfamoylamino)propane
SMILESCCC(C#N)NS(=O)(=O)N(CC)CC
InChIInChI=1S/C8H17N3O2S/c1-4-8(7-9)10-14(12,13)11(5-2)6-3/h8,10H,4-6H2,1-3H3
InChIKeyHHVPTZHONIOBOG-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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Related Compounds

2-[Di(propan-2-yl)sulfamoylamino]propane
CID 23598036
Diethyl n-isopropylsulfamide
CID 53256756
2-[Ethyl(ethylsulfamoyl)amino]propane
CID 89245378
2-[[2-Cyanoethyl(methyl)sulfamoyl]amino]butane
CID 47164658
2-(Diethylsulfamoylamino)butane
CID 60712843
1-Cyano-2-(diethylsulfamoylamino)ethane
CID 60713630
1-[Propan-2-ylsulfamoyl(propyl)amino]propane
CID 60750604
1-Cyano-1-(diethylsulfamoylamino)ethane
CID 61122842
1-Cyano-1-(diethylsulfamoylamino)butane
CID 61123072
1-Cyano-1-(dimethylsulfamoylamino)ethane
CID 61123241
1-Cyano-1-(dimethylsulfamoylamino)butane
CID 61123466
N-(1-cyanobutyl)pyrrolidine-1-sulfonamide
CID 61123469

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(diethylsulfamoylamino)propane?
The IUPAC name of 1-cyano-1-(diethylsulfamoylamino)propane (CID 61124252) is 1-cyano-1-(diethylsulfamoylamino)propane.
What is the SMILES notation for 1-cyano-1-(diethylsulfamoylamino)propane?
The canonical SMILES for 1-cyano-1-(diethylsulfamoylamino)propane is CCC(C#N)NS(=O)(=O)N(CC)CC.
What is the InChIKey of 1-cyano-1-(diethylsulfamoylamino)propane?
The InChIKey is HHVPTZHONIOBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-4-8(7-9)10-14(12,13)11(5-2)6-3/h8,10H,4-6H2,1-3H3.
What are the key properties of 1-cyano-1-(diethylsulfamoylamino)propane?
1-cyano-1-(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-1-(diethylsulfamoylamino)propane is sourced from PubChem (CID 61124252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).