2-(ethylsulfamoylamino)-2-methylbutanenitrile

C7H15N3O2S — CID 114807718

IUPAC2-(ethylsulfamoylamino)-2-methylbutanenitrile
SMILESCCNS(=O)(=O)NC(C)(C#N)CC
InChIInChI=1S/C7H15N3O2S/c1-4-7(3,6-8)10-13(11,12)9-5-2/h9-10H,4-5H2,1-3H3
InChIKeyOWOSAMQHJVSUKV-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.12
Rot. Bonds5

About 2-(ethylsulfamoylamino)-2-methylbutanenitrile

2-(ethylsulfamoylamino)-2-methylbutanenitrile (PubChem CID 114807718) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)-2-methylbutanenitrile
PubChem CID114807718
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-(ethylsulfamoylamino)-2-methylbutanenitrile
SMILESCCNS(=O)(=O)NC(C)(C#N)CC
InChIInChI=1S/C7H15N3O2S/c1-4-7(3,6-8)10-13(11,12)9-5-2/h9-10H,4-5H2,1-3H3
InChIKeyOWOSAMQHJVSUKV-UHFFFAOYSA-N
XLogP0.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
CID 114807715
2-Cyano-2-(dimethylsulfamoylamino)butane
CID 61124900
1-Cyano-1-(dimethylsulfamoylamino)-2-methylpropane
CID 64425965
3-(Ethylsulfamoylamino)-2,2-dimethylpropanenitrile
CID 104069480
4-(Propan-2-ylsulfamoylamino)butanenitrile
CID 104462757
4-(Ethylsulfamoylamino)butanenitrile
CID 104462758
3-(Tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
3-(Ethylsulfamoylamino)pentanenitrile
CID 104694090
2-Methyl-2-(methylsulfamoylamino)propanenitrile
CID 110605574
2-(Ethylsulfamoylamino)-2-methylpropanenitrile
CID 110605575
2-Methyl-2-(propylsulfamoylamino)propanenitrile
CID 110605576
2-Methyl-2-(propan-2-ylsulfamoylamino)propanenitrile
CID 110605577

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)-2-methylbutanenitrile?
The IUPAC name of 2-(ethylsulfamoylamino)-2-methylbutanenitrile (CID 114807718) is 2-(ethylsulfamoylamino)-2-methylbutanenitrile.
What is the SMILES notation for 2-(ethylsulfamoylamino)-2-methylbutanenitrile?
The canonical SMILES for 2-(ethylsulfamoylamino)-2-methylbutanenitrile is CCNS(=O)(=O)NC(C)(C#N)CC.
What is the InChIKey of 2-(ethylsulfamoylamino)-2-methylbutanenitrile?
The InChIKey is OWOSAMQHJVSUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-4-7(3,6-8)10-13(11,12)9-5-2/h9-10H,4-5H2,1-3H3.
What are the key properties of 2-(ethylsulfamoylamino)-2-methylbutanenitrile?
2-(ethylsulfamoylamino)-2-methylbutanenitrile has a molecular weight of 205.28 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoylamino)-2-methylbutanenitrile is sourced from PubChem (CID 114807718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).