2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile

C8H15N3O2S — CID 114807717

IUPAC2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile
SMILESCCC(C)(C#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-3-8(2,6-9)11-14(12,13)10-7-4-5-7/h7,10-11H,3-5H2,1-2H3
InChIKeyYJSJANGERQTXJO-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.27
Rot. Bonds5

About 2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile

2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile (PubChem CID 114807717) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile
PubChem CID114807717
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile
SMILESCCC(C)(C#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-3-8(2,6-9)11-14(12,13)10-7-4-5-7/h7,10-11H,3-5H2,1-2H3
InChIKeyYJSJANGERQTXJO-UHFFFAOYSA-N
XLogP0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453829
[[1-Cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane
CID 104538427
3-(Cyclopropylsulfamoylamino)-2-methylpropanenitrile
CID 104538457
2-Methyl-2-(propan-2-ylsulfamoylamino)propanenitrile
CID 110605577
3-(Cyclopropylsulfamoylamino)butanenitrile
CID 114383114
3-(Cyclopropylsulfamoylamino)-2,2-dimethylpropanenitrile
CID 114388294
3-(Cyclopropylsulfamoylamino)pentanenitrile
CID 114389639
2-(Cyclopropylsulfamoylamino)-2-methylpropanenitrile
CID 114807664
2-(Tert-butylsulfamoylamino)propanenitrile
CID 114807665
2-(Cyclopropylsulfamoylamino)propanenitrile
CID 114807668
2-(Tert-butylsulfamoylamino)butanenitrile
CID 114807672
2-(Cyclopropylsulfamoylamino)butanenitrile
CID 114807675

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile (CID 114807717) is 2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile is CCC(C)(C#N)NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile?
The InChIKey is YJSJANGERQTXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-8(2,6-9)11-14(12,13)10-7-4-5-7/h7,10-11H,3-5H2,1-2H3.
What are the key properties of 2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile?
2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile has a molecular weight of 217.29 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-2-methylbutanenitrile is sourced from PubChem (CID 114807717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).