[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane

C9H17N3O2S — CID 47164686

IUPAC[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane
SMILESCN(CCC#N)S(=O)(=O)NC1CCCC1
InChIInChI=1S/C9H17N3O2S/c1-12(8-4-7-10)15(13,14)11-9-5-2-3-6-9/h9,11H,2-6,8H2,1H3
InChIKeyHXHHWDNXYZWLKR-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.61
Rot. Bonds5

About [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane

[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane (PubChem CID 47164686) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane.

Molecular Properties

Compound Name[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane
PubChem CID47164686
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane
SMILESCN(CCC#N)S(=O)(=O)NC1CCCC1
InChIInChI=1S/C9H17N3O2S/c1-12(8-4-7-10)15(13,14)11-9-5-2-3-6-9/h9,11H,2-6,8H2,1H3
InChIKeyHXHHWDNXYZWLKR-UHFFFAOYSA-N
XLogP0.61
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(propan-2-ylsulfamoyl)cyclopentanamine
CID 57538874
(Dimethylsulfamoylamino)cyclopentane
CID 4627794
[[2-Cyanoethyl(methyl)sulfamoyl]amino]cyclohexane
CID 35326787
[[2-Cyanoethyl(methyl)sulfamoyl]amino]cycloheptane
CID 35431102
N'-cyclopentyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137004
N'-cyclopentyl-N'-(diethylsulfamoyl)propane-1,3-diamine
CID 43137008
[Cyclopentylsulfamoyl(methyl)amino]cyclohexane
CID 45872374
2-[[2-Cyanoethyl(methyl)sulfamoyl]amino]butane
CID 47164658
N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine
CID 54947772
N'-[cyclopentyl(ethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 54951884
N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
CID 55242943
(Diethylsulfamoylamino)cyclopentane
CID 60713674

Frequently Asked Questions

What is the IUPAC name of [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane?
The IUPAC name of [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane (CID 47164686) is [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane.
What is the SMILES notation for [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane?
The canonical SMILES for [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane is CN(CCC#N)S(=O)(=O)NC1CCCC1.
What is the InChIKey of [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane?
The InChIKey is HXHHWDNXYZWLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-12(8-4-7-10)15(13,14)11-9-5-2-3-6-9/h9,11H,2-6,8H2,1H3.
What are the key properties of [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane?
[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane has a molecular weight of 231.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclopentane is sourced from PubChem (CID 47164686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).