3-(propan-2-ylsulfamoylamino)pentanenitrile

C8H17N3O2S — CID 104694086

IUPAC3-(propan-2-ylsulfamoylamino)pentanenitrile
SMILESCCC(CC#N)NS(=O)(=O)NC(C)C
InChIInChI=1S/C8H17N3O2S/c1-4-8(5-6-9)11-14(12,13)10-7(2)3/h7-8,10-11H,4-5H2,1-3H3
InChIKeySVRDDIMECVVPLX-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.51
Rot. Bonds6

About 3-(propan-2-ylsulfamoylamino)pentanenitrile

3-(propan-2-ylsulfamoylamino)pentanenitrile (PubChem CID 104694086) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoylamino)pentanenitrile.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoylamino)pentanenitrile
PubChem CID104694086
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name3-(propan-2-ylsulfamoylamino)pentanenitrile
SMILESCCC(CC#N)NS(=O)(=O)NC(C)C
InChIInChI=1S/C8H17N3O2S/c1-4-8(5-6-9)11-14(12,13)10-7(2)3/h7-8,10-11H,4-5H2,1-3H3
InChIKeySVRDDIMECVVPLX-UHFFFAOYSA-N
XLogP0.51
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(butan-2-ylsulfamoyl)butan-2-amine
CID 134897087
1-Cyanobutylazanium sulfite
CID 10171287
2-[[2-Cyanoethyl(methyl)sulfamoyl]amino]butane
CID 47164658
1-Cyano-1-(diethylsulfamoylamino)butane
CID 61123072
1-Cyano-1-(dimethylsulfamoylamino)butane
CID 61123466
1-Cyano-1-(diethylsulfamoylamino)propane
CID 61124252
1-Cyano-1-(dimethylsulfamoylamino)propane
CID 61124450
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453749
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453750
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 62093898
1-Cyano-2-(dimethylsulfamoylamino)propane
CID 62094073
1-Cyano-2-(diethylsulfamoylamino)propane
CID 62094802

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoylamino)pentanenitrile?
The IUPAC name of 3-(propan-2-ylsulfamoylamino)pentanenitrile (CID 104694086) is 3-(propan-2-ylsulfamoylamino)pentanenitrile.
What is the SMILES notation for 3-(propan-2-ylsulfamoylamino)pentanenitrile?
The canonical SMILES for 3-(propan-2-ylsulfamoylamino)pentanenitrile is CCC(CC#N)NS(=O)(=O)NC(C)C.
What is the InChIKey of 3-(propan-2-ylsulfamoylamino)pentanenitrile?
The InChIKey is SVRDDIMECVVPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-4-8(5-6-9)11-14(12,13)10-7(2)3/h7-8,10-11H,4-5H2,1-3H3.
What are the key properties of 3-(propan-2-ylsulfamoylamino)pentanenitrile?
3-(propan-2-ylsulfamoylamino)pentanenitrile has a molecular weight of 219.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoylamino)pentanenitrile is sourced from PubChem (CID 104694086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).