2-(propylsulfamoylamino)cyclopentane-1-carbonitrile

C9H17N3O2S — CID 114807849

IUPAC2-(propylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCCCNS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C9H17N3O2S/c1-2-6-11-15(13,14)12-9-5-3-4-8(9)7-10/h8-9,11-12H,2-6H2,1H3
InChIKeyPDUVGWUQNIDSOG-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.51
Rot. Bonds5

About 2-(propylsulfamoylamino)cyclopentane-1-carbonitrile

2-(propylsulfamoylamino)cyclopentane-1-carbonitrile (PubChem CID 114807849) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(propylsulfamoylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(propylsulfamoylamino)cyclopentane-1-carbonitrile
PubChem CID114807849
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-(propylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCCCNS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C9H17N3O2S/c1-2-6-11-15(13,14)12-9-5-3-4-8(9)7-10/h8-9,11-12H,2-6H2,1H3
InChIKeyPDUVGWUQNIDSOG-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile
CID 113637036
[[2-Cyanoethyl(methyl)sulfamoyl]amino]methylcyclopentane
CID 47171424
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 61453751
1-(Aminomethyl)-2-(dimethylsulfamoylamino)cyclopentane
CID 62955347
1-(Aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 62955694
N-(2-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide
CID 62961264
N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide
CID 62961449
N-(2-cyanocyclopentyl)-2-methylpiperidine-1-sulfonamide
CID 62961626
1-Cyano-2-(dimethylsulfamoylamino)cyclopentane
CID 62961810
N-(2-cyanocyclopentyl)propane-2-sulfonamide
CID 62962169
1-Cyano-2-(diethylsulfamoylamino)cyclopentane
CID 62963080
N-(2-cyanocyclopentyl)methanesulfonamide
CID 62963263

Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfamoylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(propylsulfamoylamino)cyclopentane-1-carbonitrile (CID 114807849) is 2-(propylsulfamoylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(propylsulfamoylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(propylsulfamoylamino)cyclopentane-1-carbonitrile is CCCNS(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of 2-(propylsulfamoylamino)cyclopentane-1-carbonitrile?
The InChIKey is PDUVGWUQNIDSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-6-11-15(13,14)12-9-5-3-4-8(9)7-10/h8-9,11-12H,2-6H2,1H3.
What are the key properties of 2-(propylsulfamoylamino)cyclopentane-1-carbonitrile?
2-(propylsulfamoylamino)cyclopentane-1-carbonitrile has a molecular weight of 231.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfamoylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114807849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).