2-ethyl-2-(methylsulfamoylamino)butanenitrile

C7H15N3O2S — CID 114807726

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

About 2-ethyl-2-(methylsulfamoylamino)butanenitrile

2-ethyl-2-(methylsulfamoylamino)butanenitrile (PubChem CID 114807726) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-ethyl-2-(methylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(methylsulfamoylamino)butanenitrile
PubChem CID114807726
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-ethyl-2-(methylsulfamoylamino)butanenitrile
SMILESCCC(C#N)(CC)NS(=O)(=O)NC
InChIInChI=1S/C7H15N3O2S/c1-4-7(5-2,6-8)10-13(11,12)9-3/h9-10H,4-5H2,1-3H3
InChIKeyPOAQASQPFVBCLT-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-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
CID 114807722
3-Cyano-3-(dimethylsulfamoylamino)pentane
CID 61122126
2-Cyano-2-(dimethylsulfamoylamino)butane
CID 61124900
2-Methyl-2-(methylsulfamoylamino)propanenitrile
CID 110605574
2-(Ethylsulfamoylamino)-2-methylpropanenitrile
CID 110605575
2-Methyl-2-(propylsulfamoylamino)propanenitrile
CID 110605576
1-(Methylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807691
2-Methyl-2-(propylsulfamoylamino)butanenitrile
CID 114807716
2-(Ethylsulfamoylamino)-2-methylbutanenitrile
CID 114807718
2-Methyl-2-(methylsulfamoylamino)butanenitrile
CID 114807719
2-(Tert-butylsulfamoylamino)-2-ethylbutanenitrile
CID 114807721
2-Ethyl-2-(propylsulfamoylamino)butanenitrile
CID 114807723

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylsulfamoylamino)butanenitrile?
The IUPAC name of 2-ethyl-2-(methylsulfamoylamino)butanenitrile (CID 114807726) is 2-ethyl-2-(methylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(methylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-ethyl-2-(methylsulfamoylamino)butanenitrile is CCC(C#N)(CC)NS(=O)(=O)NC.
What is the InChIKey of 2-ethyl-2-(methylsulfamoylamino)butanenitrile?
The InChIKey is POAQASQPFVBCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-4-7(5-2,6-8)10-13(11,12)9-3/h9-10H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-2-(methylsulfamoylamino)butanenitrile?
2-ethyl-2-(methylsulfamoylamino)butanenitrile 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-ethyl-2-(methylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114807726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).