2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile

C9H17N3O2S — CID 114807724

IUPAC2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H17N3O2S/c1-3-9(4-2,7-10)12-15(13,14)11-8-5-6-8/h8,11-12H,3-6H2,1-2H3
InChIKeyBDPWCVFKZZVXPQ-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.66
Rot. Bonds6

About 2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile

2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile (PubChem CID 114807724) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile
PubChem CID114807724
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H17N3O2S/c1-3-9(4-2,7-10)12-15(13,14)11-8-5-6-8/h8,11-12H,3-6H2,1-2H3
InChIKeyBDPWCVFKZZVXPQ-UHFFFAOYSA-N
XLogP0.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
[Cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclopropane
CID 64424992
3-(Propan-2-ylsulfamoylamino)pentanenitrile
CID 104694086
3-(Cyclopropylsulfamoylamino)pentanenitrile
CID 114389639
2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
CID 114803674
2-(Cyclopropylsulfamoylamino)-2-methylpropanenitrile
CID 114807664
2-(Tert-butylsulfamoylamino)butanenitrile
CID 114807672
2-(Tert-butylsulfamoylamino)pentanenitrile
CID 114807679
2-(Cyclopropylsulfamoylamino)pentanenitrile
CID 114807682
2-Methyl-2-(propylsulfamoylamino)butanenitrile
CID 114807716
2-(Cyclopropylsulfamoylamino)-2-methylbutanenitrile
CID 114807717
2-Methyl-2-(propan-2-ylsulfamoylamino)butanenitrile
CID 114807720

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile (CID 114807724) is 2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile is CCC(C#N)(CC)NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile?
The InChIKey is BDPWCVFKZZVXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-9(4-2,7-10)12-15(13,14)11-8-5-6-8/h8,11-12H,3-6H2,1-2H3.
What are the key properties of 2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile?
2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile has a molecular weight of 231.32 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-2-ethylbutanenitrile is sourced from PubChem (CID 114807724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).