2-ethyl-2-(propylsulfamoylamino)butanenitrile

C9H19N3O2S — CID 114807723

IUPAC2-ethyl-2-(propylsulfamoylamino)butanenitrile
SMILESCCCNS(=O)(=O)NC(C#N)(CC)CC
InChIInChI=1S/C9H19N3O2S/c1-4-7-11-15(13,14)12-9(5-2,6-3)8-10/h11-12H,4-7H2,1-3H3
InChIKeyZCCUMDNJITWMKG-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.90
Rot. Bonds7

About 2-ethyl-2-(propylsulfamoylamino)butanenitrile

2-ethyl-2-(propylsulfamoylamino)butanenitrile (PubChem CID 114807723) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-ethyl-2-(propylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(propylsulfamoylamino)butanenitrile
PubChem CID114807723
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name2-ethyl-2-(propylsulfamoylamino)butanenitrile
SMILESCCCNS(=O)(=O)NC(C#N)(CC)CC
InChIInChI=1S/C9H19N3O2S/c1-4-7-11-15(13,14)12-9(5-2,6-3)8-10/h11-12H,4-7H2,1-3H3
InChIKeyZCCUMDNJITWMKG-UHFFFAOYSA-N
XLogP0.90
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
CID 114807722
3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
3-Cyano-3-(dimethylsulfamoylamino)pentane
CID 61122126
2-Cyano-2-(diethylsulfamoylamino)butane
CID 61124506
3-Cyano-3-(diethylsulfamoylamino)pentane
CID 61124911
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453829
3-(Tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
3-(Propan-2-ylsulfamoylamino)pentanenitrile
CID 104694086
2-(Tert-butylsulfamoylamino)butanenitrile
CID 114807672
2-(Tert-butylsulfamoylamino)pentanenitrile
CID 114807679
1-(Propylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807688
2-(Tert-butylsulfamoylamino)-2-methylbutanenitrile
CID 114807714

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propylsulfamoylamino)butanenitrile?
The IUPAC name of 2-ethyl-2-(propylsulfamoylamino)butanenitrile (CID 114807723) is 2-ethyl-2-(propylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(propylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-ethyl-2-(propylsulfamoylamino)butanenitrile is CCCNS(=O)(=O)NC(C#N)(CC)CC.
What is the InChIKey of 2-ethyl-2-(propylsulfamoylamino)butanenitrile?
The InChIKey is ZCCUMDNJITWMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-4-7-11-15(13,14)12-9(5-2,6-3)8-10/h11-12H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-2-(propylsulfamoylamino)butanenitrile?
2-ethyl-2-(propylsulfamoylamino)butanenitrile has a molecular weight of 233.34 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114807723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).