2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile

C9H17N3O2S — CID 110605578

IUPAC2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NS(=O)(=O)NC1CCCC1
InChIInChI=1S/C9H17N3O2S/c1-9(2,7-10)12-15(13,14)11-8-5-3-4-6-8/h8,11-12H,3-6H2,1-2H3
InChIKeyDMHCPPBOKIBLMW-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.66
Rot. Bonds4

About 2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile

2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile (PubChem CID 110605578) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile
PubChem CID110605578
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NS(=O)(=O)NC1CCCC1
InChIInChI=1S/C9H17N3O2S/c1-9(2,7-10)12-15(13,14)11-8-5-3-4-6-8/h8,11-12H,3-6H2,1-2H3
InChIKeyDMHCPPBOKIBLMW-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

N-(propan-2-ylsulfamoyl)cyclopentanamine
CID 57538874
[[2-Cyanoethyl(methyl)sulfamoyl]amino]cyclopentane
CID 47164686
N-(2-methylpropylsulfamoyl)cyclopentanamine
CID 84282222
N-(propylsulfamoyl)cyclopentanamine
CID 84282308
N-(tert-butylsulfamoyl)cyclopentanamine
CID 84284164
1-N-(tert-butylsulfamoyl)pentane-1,4-diamine
CID 106125803
N-(pentylsulfamoyl)cyclopentanamine
CID 110415804
2-N-(tert-butylsulfamoyl)pentane-1,2-diamine
CID 114803691
3-N-(tert-butylsulfamoyl)pentane-1,3-diamine
CID 114803978
2-(Tert-butylsulfamoylamino)butanenitrile
CID 114807672
2-(Tert-butylsulfamoylamino)pentanenitrile
CID 114807679
2-(Propylsulfamoylamino)pentanenitrile
CID 114807681

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile?
The IUPAC name of 2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile (CID 110605578) is 2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile is CC(C)(C#N)NS(=O)(=O)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile?
The InChIKey is DMHCPPBOKIBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-9(2,7-10)12-15(13,14)11-8-5-3-4-6-8/h8,11-12H,3-6H2,1-2H3.
What are the key properties of 2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile?
2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile 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 2-(cyclopentylsulfamoylamino)-2-methylpropanenitrile is sourced from PubChem (CID 110605578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).