[cyanomethyl(ethylsulfamoyl)amino]cyclopentane

C9H17N3O2S — CID 114807945

IUPAC[cyanomethyl(ethylsulfamoyl)amino]cyclopentane
SMILESCCNS(=O)(=O)N(CC#N)C1CCCC1
InChIInChI=1S/C9H17N3O2S/c1-2-11-15(13,14)12(8-7-10)9-5-3-4-6-9/h9,11H,2-6,8H2,1H3
InChIKeyREIRCAIAPJHQKG-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.61
Rot. Bonds5

About [cyanomethyl(ethylsulfamoyl)amino]cyclopentane

[cyanomethyl(ethylsulfamoyl)amino]cyclopentane (PubChem CID 114807945) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is [cyanomethyl(ethylsulfamoyl)amino]cyclopentane.

Molecular Properties

Compound Name[cyanomethyl(ethylsulfamoyl)amino]cyclopentane
PubChem CID114807945
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name[cyanomethyl(ethylsulfamoyl)amino]cyclopentane
SMILESCCNS(=O)(=O)N(CC#N)C1CCCC1
InChIInChI=1S/C9H17N3O2S/c1-2-11-15(13,14)12(8-7-10)9-5-3-4-6-9/h9,11H,2-6,8H2,1H3
InChIKeyREIRCAIAPJHQKG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide
CID 114808448
[2-cyanoethyl(propylsulfamoyl)amino]cyclopropane
CID 114807765
N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide
CID 115641421
N-cyclopentyl-N-ethylmethanesulfonamide
CID 58540435
2-[cyclopentyl(pentyl)amino]acetonitrile
CID 62048934
N,N-dicyclopentylethanesulfonamide
CID 70950391
1-bromo-N-cyclohexyl-N-ethylmethanesulfonamide
CID 83092325
2-[di(cyclobutyl)amino]acetonitrile
CID 131203762
2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide
CID 80697349
N-cyclohexyl-N-ethylsulfamoyl chloride
CID 16769623

Frequently Asked Questions

What is the IUPAC name of [cyanomethyl(ethylsulfamoyl)amino]cyclopentane?
The IUPAC name of [cyanomethyl(ethylsulfamoyl)amino]cyclopentane (CID 114807945) is [cyanomethyl(ethylsulfamoyl)amino]cyclopentane.
What is the SMILES notation for [cyanomethyl(ethylsulfamoyl)amino]cyclopentane?
The canonical SMILES for [cyanomethyl(ethylsulfamoyl)amino]cyclopentane is CCNS(=O)(=O)N(CC#N)C1CCCC1.
What is the InChIKey of [cyanomethyl(ethylsulfamoyl)amino]cyclopentane?
The InChIKey is REIRCAIAPJHQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-11-15(13,14)12(8-7-10)9-5-3-4-6-9/h9,11H,2-6,8H2,1H3.
What are the key properties of [cyanomethyl(ethylsulfamoyl)amino]cyclopentane?
[cyanomethyl(ethylsulfamoyl)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 [cyanomethyl(ethylsulfamoyl)amino]cyclopentane is sourced from PubChem (CID 114807945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).