1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile

C9H17N3O2S — CID 114807692

IUPAC1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C9H17N3O2S/c1-8(2)11-15(13,14)12-9(7-10)5-3-4-6-9/h8,11-12H,3-6H2,1-2H3
InChIKeyUBUZTFMXDLBAPS-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.66
Rot. Bonds4

About 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile

1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile (PubChem CID 114807692) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile
PubChem CID114807692
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C9H17N3O2S/c1-8(2)11-15(13,14)12-9(7-10)5-3-4-6-9/h8,11-12H,3-6H2,1-2H3
InChIKeyUBUZTFMXDLBAPS-UHFFFAOYSA-N
XLogP0.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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
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-(Aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 61455907
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
3-[(Tert-butylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125517
2-(Cyclopentylsulfamoylamino)-2-methylpropanenitrile
CID 110605578
N-(cyclopentylmethylsulfamoyl)propan-2-amine
CID 110627605
1-Cyano-2-(sulfamoylamino)cyclopentane
CID 112696449

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile (CID 114807692) is 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile is CC(C)NS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile?
The InChIKey is UBUZTFMXDLBAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-8(2)11-15(13,14)12-9(7-10)5-3-4-6-9/h8,11-12H,3-6H2,1-2H3.
What are the key properties of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile?
1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile has a molecular weight of 231.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114807692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).