2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile

C10H21N3O2S — CID 114807721

IUPAC2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H21N3O2S/c1-6-10(7-2,8-11)13-16(14,15)12-9(3,4)5/h12-13H,6-7H2,1-5H3
InChIKeyZZXGFVDUWKNJQI-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.29
Rot. Bonds5

About 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile

2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile (PubChem CID 114807721) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile
PubChem CID114807721
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile
SMILESCCC(C#N)(CC)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H21N3O2S/c1-6-10(7-2,8-11)13-16(14,15)12-9(3,4)5/h12-13H,6-7H2,1-5H3
InChIKeyZZXGFVDUWKNJQI-UHFFFAOYSA-N
XLogP1.29
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethyl-3-(sulfamoylamino)pentane
CID 88168087
3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide
CID 55248306
3-Cyano-3-(dimethylsulfamoylamino)pentane
CID 61122126
3-Cyano-3-(diethylsulfamoylamino)pentane
CID 61124911
2-(Tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 114807662
1-(Tert-butylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807686
2-(Tert-butylsulfamoylamino)-2-methylbutanenitrile
CID 114807714
2-Methyl-2-(propylsulfamoylamino)butanenitrile
CID 114807716
2-Ethyl-2-(propylsulfamoylamino)butanenitrile
CID 114807723
2-(Cyclopropylsulfamoylamino)-2-ethylbutanenitrile
CID 114807724
2-Ethyl-2-(ethylsulfamoylamino)butanenitrile
CID 114807725

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile?
The IUPAC name of 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile (CID 114807721) is 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile?
The canonical SMILES for 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile is CCC(C#N)(CC)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile?
The InChIKey is ZZXGFVDUWKNJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-6-10(7-2,8-11)13-16(14,15)12-9(3,4)5/h12-13H,6-7H2,1-5H3.
What are the key properties of 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile?
2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile has a molecular weight of 247.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)-2-ethylbutanenitrile is sourced from PubChem (CID 114807721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).