[2-cyanoethyl(propylsulfamoyl)amino]cyclopropane

C9H17N3O2S — CID 114807765

IUPAC[2-cyanoethyl(propylsulfamoyl)amino]cyclopropane
SMILESCCCNS(=O)(=O)N(CCC#N)C1CC1
InChIInChI=1S/C9H17N3O2S/c1-2-7-11-15(13,14)12(8-3-6-10)9-4-5-9/h9,11H,2-5,7-8H2,1H3
InChIKeyKPCNSFPHLHPNTP-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.61
Rot. Bonds7

About [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane

[2-cyanoethyl(propylsulfamoyl)amino]cyclopropane (PubChem CID 114807765) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane.

Molecular Properties

Compound Name[2-cyanoethyl(propylsulfamoyl)amino]cyclopropane
PubChem CID114807765
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name[2-cyanoethyl(propylsulfamoyl)amino]cyclopropane
SMILESCCCNS(=O)(=O)N(CCC#N)C1CC1
InChIInChI=1S/C9H17N3O2S/c1-2-7-11-15(13,14)12(8-3-6-10)9-4-5-9/h9,11H,2-5,7-8H2,1H3
InChIKeyKPCNSFPHLHPNTP-UHFFFAOYSA-N
XLogP0.61
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-aminoethyl(propylsulfamoyl)amino]cyclopropane
CID 114803736
3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid
CID 114805583
[cyanomethyl(ethylsulfamoyl)amino]cyclopentane
CID 114807945
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
N-(2-cyanoethyl)-N-cyclopropyl-2,6-dimethylmorpholine-4-sulfonamide
CID 60580358
N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 61384412
3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid
CID 114814428
3-amino-N-(2-cyanoethyl)-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106504507
N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103305242
N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide
CID 3456731
1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-ethoxypropane
CID 134043652
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384

Frequently Asked Questions

What is the IUPAC name of [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane?
The IUPAC name of [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane (CID 114807765) is [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane.
What is the SMILES notation for [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane?
The canonical SMILES for [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane is CCCNS(=O)(=O)N(CCC#N)C1CC1.
What is the InChIKey of [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane?
The InChIKey is KPCNSFPHLHPNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-7-11-15(13,14)12(8-3-6-10)9-4-5-9/h9,11H,2-5,7-8H2,1H3.
What are the key properties of [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane?
[2-cyanoethyl(propylsulfamoyl)amino]cyclopropane has a molecular weight of 231.32 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyanoethyl(propylsulfamoyl)amino]cyclopropane is sourced from PubChem (CID 114807765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).