3-cyano-3-(dimethylsulfamoylamino)pentane

C8H17N3O2S — CID 61122126

IUPAC3-cyano-3-(dimethylsulfamoylamino)pentane
SMILESCCC(C#N)(CC)NS(=O)(=O)N(C)C
InChIInChI=1S/C8H17N3O2S/c1-5-8(6-2,7-9)10-14(12,13)11(3)4/h10H,5-6H2,1-4H3
InChIKeyPRDKLCDBXWNJRZ-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.46
Rot. Bonds5

About 3-cyano-3-(dimethylsulfamoylamino)pentane

3-cyano-3-(dimethylsulfamoylamino)pentane (PubChem CID 61122126) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-cyano-3-(dimethylsulfamoylamino)pentane.

Molecular Properties

Compound Name3-cyano-3-(dimethylsulfamoylamino)pentane
PubChem CID61122126
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name3-cyano-3-(dimethylsulfamoylamino)pentane
SMILESCCC(C#N)(CC)NS(=O)(=O)N(C)C
InChIInChI=1S/C8H17N3O2S/c1-5-8(6-2,7-9)10-14(12,13)11(3)4/h10H,5-6H2,1-4H3
InChIKeyPRDKLCDBXWNJRZ-UHFFFAOYSA-N
XLogP0.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
2-Cyano-2-(diethylsulfamoylamino)butane
CID 61124506
2-Cyano-2-(dimethylsulfamoylamino)butane
CID 61124900
3-Cyano-3-(diethylsulfamoylamino)pentane
CID 61124911
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453829
2-[Tert-butylsulfamoyl(methyl)amino]-1-cyanopropane
CID 104538426
2-(Tert-butylsulfamoylamino)-2-methylbutanenitrile
CID 114807714
2-(Tert-butylsulfamoylamino)-2-ethylbutanenitrile
CID 114807721
2-Ethyl-2-(propylsulfamoylamino)butanenitrile
CID 114807723
2-Ethyl-2-(ethylsulfamoylamino)butanenitrile
CID 114807725
2-Ethyl-2-(methylsulfamoylamino)butanenitrile
CID 114807726
2-Ethyl-2-(propan-2-ylsulfamoylamino)butanenitrile
CID 114807727

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-(dimethylsulfamoylamino)pentane?
The IUPAC name of 3-cyano-3-(dimethylsulfamoylamino)pentane (CID 61122126) is 3-cyano-3-(dimethylsulfamoylamino)pentane.
What is the SMILES notation for 3-cyano-3-(dimethylsulfamoylamino)pentane?
The canonical SMILES for 3-cyano-3-(dimethylsulfamoylamino)pentane is CCC(C#N)(CC)NS(=O)(=O)N(C)C.
What is the InChIKey of 3-cyano-3-(dimethylsulfamoylamino)pentane?
The InChIKey is PRDKLCDBXWNJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-5-8(6-2,7-9)10-14(12,13)11(3)4/h10H,5-6H2,1-4H3.
What are the key properties of 3-cyano-3-(dimethylsulfamoylamino)pentane?
3-cyano-3-(dimethylsulfamoylamino)pentane has a molecular weight of 219.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-(dimethylsulfamoylamino)pentane is sourced from PubChem (CID 61122126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).