1-(propylsulfamoylamino)cyclopentane-1-carbonitrile

C9H17N3O2S — CID 114807688

IUPAC1-(propylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCCCNS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C9H17N3O2S/c1-2-7-11-15(13,14)12-9(8-10)5-3-4-6-9/h11-12H,2-7H2,1H3
InChIKeyZKXPCELYEZVRBZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.66
Rot. Bonds5

About 1-(propylsulfamoylamino)cyclopentane-1-carbonitrile

1-(propylsulfamoylamino)cyclopentane-1-carbonitrile (PubChem CID 114807688) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(propylsulfamoylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propylsulfamoylamino)cyclopentane-1-carbonitrile
PubChem CID114807688
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-(propylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCCCNS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C9H17N3O2S/c1-2-7-11-15(13,14)12-9(8-10)5-3-4-6-9/h11-12H,2-7H2,1H3
InChIKeyZKXPCELYEZVRBZ-UHFFFAOYSA-N
XLogP0.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807687
[[2-Cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane
CID 47171424
1-Cyano-1-(diethylsulfamoylamino)cyclopentane
CID 55029365
1-Cyano-1-(dimethylsulfamoylamino)cyclopentane
CID 61125065
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 61453751
1-Cyano-2-(dimethylsulfamoylamino)cyclopentane
CID 62961810
1-Cyano-2-(diethylsulfamoylamino)cyclopentane
CID 62963080
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 62963450
2-(Cyclopentylsulfamoylamino)-2-methylpropanenitrile
CID 110605578
1-(Propylsulfamoylamino)cyclooctane-1-carbonitrile
CID 113637028
1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclopentan-1-amine
CID 114803342
1-(aminomethyl)-N-(propylsulfamoyl)cyclopentan-1-amine
CID 114803343

Frequently Asked Questions

What is the IUPAC name of 1-(propylsulfamoylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(propylsulfamoylamino)cyclopentane-1-carbonitrile (CID 114807688) is 1-(propylsulfamoylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propylsulfamoylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propylsulfamoylamino)cyclopentane-1-carbonitrile is CCCNS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of 1-(propylsulfamoylamino)cyclopentane-1-carbonitrile?
The InChIKey is ZKXPCELYEZVRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-7-11-15(13,14)12-9(8-10)5-3-4-6-9/h11-12H,2-7H2,1H3.
What are the key properties of 1-(propylsulfamoylamino)cyclopentane-1-carbonitrile?
1-(propylsulfamoylamino)cyclopentane-1-carbonitrile has a molecular weight of 231.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylsulfamoylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114807688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).