2-(cyclopropylsulfamoylamino)pentanenitrile

C8H15N3O2S — CID 114807682

IUPAC2-(cyclopropylsulfamoylamino)pentanenitrile
SMILESCCCC(C#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-2-3-8(6-9)11-14(12,13)10-7-4-5-7/h7-8,10-11H,2-5H2,1H3
InChIKeyKTGDZHKSJZJEKB-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.27
Rot. Bonds6

About 2-(cyclopropylsulfamoylamino)pentanenitrile

2-(cyclopropylsulfamoylamino)pentanenitrile (PubChem CID 114807682) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)pentanenitrile
PubChem CID114807682
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-(cyclopropylsulfamoylamino)pentanenitrile
SMILESCCCC(C#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-2-3-8(6-9)11-14(12,13)10-7-4-5-7/h7-8,10-11H,2-5H2,1H3
InChIKeyKTGDZHKSJZJEKB-UHFFFAOYSA-N
XLogP0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclopropylsulfamoylamino)propanenitrile
CID 114807837
1-Cyanobutylazanium sulfite
CID 10171287
1-Cyano-1-(diethylsulfamoylamino)butane
CID 61123072
1-Cyano-1-(dimethylsulfamoylamino)butane
CID 61123466
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453750
1-Cyano-4-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 63296889
[Cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclopropane
CID 64424992
[Cyano-(dimethylsulfamoylamino)methyl]cyclopropane
CID 64426765
4-(Propan-2-ylsulfamoylamino)butanenitrile
CID 104462757
[[1-Cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane
CID 104538427
3-(Propan-2-ylsulfamoylamino)pentanenitrile
CID 104694086
3-(Ethylsulfamoylamino)pentanenitrile
CID 104694090

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)pentanenitrile?
The IUPAC name of 2-(cyclopropylsulfamoylamino)pentanenitrile (CID 114807682) is 2-(cyclopropylsulfamoylamino)pentanenitrile.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)pentanenitrile?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)pentanenitrile is CCCC(C#N)NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)pentanenitrile?
The InChIKey is KTGDZHKSJZJEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-3-8(6-9)11-14(12,13)10-7-4-5-7/h7-8,10-11H,2-5H2,1H3.
What are the key properties of 2-(cyclopropylsulfamoylamino)pentanenitrile?
2-(cyclopropylsulfamoylamino)pentanenitrile has a molecular weight of 217.29 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)pentanenitrile is sourced from PubChem (CID 114807682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).