3-cyano-3-(diethylsulfamoylamino)pentane

C10H21N3O2S — CID 61124911

IUPAC3-cyano-3-(diethylsulfamoylamino)pentane
SMILESCCN(CC)S(=O)(=O)NC(C#N)(CC)CC
InChIInChI=1S/C10H21N3O2S/c1-5-10(6-2,9-11)12-16(14,15)13(7-3)8-4/h12H,5-8H2,1-4H3
InChIKeyCXUPZKJYLWTWDE-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.24
Rot. Bonds7

About 3-cyano-3-(diethylsulfamoylamino)pentane

3-cyano-3-(diethylsulfamoylamino)pentane (PubChem CID 61124911) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-cyano-3-(diethylsulfamoylamino)pentane.

Molecular Properties

Compound Name3-cyano-3-(diethylsulfamoylamino)pentane
PubChem CID61124911
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name3-cyano-3-(diethylsulfamoylamino)pentane
SMILESCCN(CC)S(=O)(=O)NC(C#N)(CC)CC
InChIInChI=1S/C10H21N3O2S/c1-5-10(6-2,9-11)12-16(14,15)13(7-3)8-4/h12H,5-8H2,1-4H3
InChIKeyCXUPZKJYLWTWDE-UHFFFAOYSA-N
XLogP1.24
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyano-1-(diethylsulfamoylamino)cyclopentane
CID 55029365
3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide
CID 61121930
3-Cyano-3-(dimethylsulfamoylamino)pentane
CID 61122126
N-(3-cyanopentan-3-yl)pyrrolidine-1-sulfonamide
CID 61122127
2-Cyano-2-(diethylsulfamoylamino)butane
CID 61124506
2-Cyano-2-(diethylsulfamoylamino)propane
CID 61127911
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453707
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453829
1-Cyano-2-(diethylsulfamoylamino)butane
CID 62645650
1-Cyano-1-(diethylsulfamoylamino)-2-methylpropane
CID 64424984
2-[[2-Cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane
CID 104538422

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-(diethylsulfamoylamino)pentane?
The IUPAC name of 3-cyano-3-(diethylsulfamoylamino)pentane (CID 61124911) is 3-cyano-3-(diethylsulfamoylamino)pentane.
What is the SMILES notation for 3-cyano-3-(diethylsulfamoylamino)pentane?
The canonical SMILES for 3-cyano-3-(diethylsulfamoylamino)pentane is CCN(CC)S(=O)(=O)NC(C#N)(CC)CC.
What is the InChIKey of 3-cyano-3-(diethylsulfamoylamino)pentane?
The InChIKey is CXUPZKJYLWTWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-5-10(6-2,9-11)12-16(14,15)13(7-3)8-4/h12H,5-8H2,1-4H3.
What are the key properties of 3-cyano-3-(diethylsulfamoylamino)pentane?
3-cyano-3-(diethylsulfamoylamino)pentane has a molecular weight of 247.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-(diethylsulfamoylamino)pentane is sourced from PubChem (CID 61124911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).