5-(cyclopropylsulfamoylamino)pentanenitrile

C8H15N3O2S — CID 114383199

IUPAC5-(cyclopropylsulfamoylamino)pentanenitrile
SMILESN#CCCCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c9-6-2-1-3-7-10-14(12,13)11-8-4-5-8/h8,10-11H,1-5,7H2
InChIKeyQJUYOBRVNHNSHZ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.27
Rot. Bonds7

About 5-(cyclopropylsulfamoylamino)pentanenitrile

5-(cyclopropylsulfamoylamino)pentanenitrile (PubChem CID 114383199) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoylamino)pentanenitrile.

Molecular Properties

Compound Name5-(cyclopropylsulfamoylamino)pentanenitrile
PubChem CID114383199
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name5-(cyclopropylsulfamoylamino)pentanenitrile
SMILESN#CCCCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c9-6-2-1-3-7-10-14(12,13)11-8-4-5-8/h8,10-11H,1-5,7H2
InChIKeyQJUYOBRVNHNSHZ-UHFFFAOYSA-N
XLogP0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Cyclopropylsulfamoylamino)propanenitrile
CID 114807837
1-Cyano-4-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 63296889
1-Cyano-4-(sulfamoylamino)butane
CID 112689559
3-(Cyclopropylsulfamoylamino)butanenitrile
CID 114383114
4-(Cyclopropylsulfamoylamino)butanenitrile
CID 114389435
3-(Cyclopropylsulfamoylamino)pentanenitrile
CID 114389639
N'-(cyclopropylsulfamoyl)pentane-1,5-diamine
CID 114804068
2-(Cyclopropylsulfamoylamino)butanenitrile
CID 114807675
2-(Propylsulfamoylamino)pentanenitrile
CID 114807681
2-(Cyclopropylsulfamoylamino)pentanenitrile
CID 114807682
2-(Ethylsulfamoylamino)pentanenitrile
CID 114807683
2-(Methylsulfamoylamino)pentanenitrile
CID 114807684

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoylamino)pentanenitrile?
The IUPAC name of 5-(cyclopropylsulfamoylamino)pentanenitrile (CID 114383199) is 5-(cyclopropylsulfamoylamino)pentanenitrile.
What is the SMILES notation for 5-(cyclopropylsulfamoylamino)pentanenitrile?
The canonical SMILES for 5-(cyclopropylsulfamoylamino)pentanenitrile is N#CCCCCNS(=O)(=O)NC1CC1.
What is the InChIKey of 5-(cyclopropylsulfamoylamino)pentanenitrile?
The InChIKey is QJUYOBRVNHNSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c9-6-2-1-3-7-10-14(12,13)11-8-4-5-8/h8,10-11H,1-5,7H2.
What are the key properties of 5-(cyclopropylsulfamoylamino)pentanenitrile?
5-(cyclopropylsulfamoylamino)pentanenitrile has a molecular weight of 217.29 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoylamino)pentanenitrile is sourced from PubChem (CID 114383199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).