3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide

C10H21N3O2S2 — CID 54997238

IUPAC3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide
SMILESCCN(CC)S(=O)(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C10H21N3O2S2/c1-3-12(4-2)17(14,15)13(9-5-6-9)8-7-10(11)16/h9H,3-8H2,1-2H3,(H2,11,16)
InChIKeyOXAOLGYGMFSBAX-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.71
Rot. Bonds8

About 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide

3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide (PubChem CID 54997238) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide
PubChem CID54997238
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide
SMILESCCN(CC)S(=O)(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C10H21N3O2S2/c1-3-12(4-2)17(14,15)13(9-5-6-9)8-7-10(11)16/h9H,3-8H2,1-2H3,(H2,11,16)
InChIKeyOXAOLGYGMFSBAX-UHFFFAOYSA-N
XLogP0.71
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide?
The IUPAC name of 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide (CID 54997238) is 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide.
What is the SMILES notation for 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide?
The canonical SMILES for 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide is CCN(CC)S(=O)(=O)N(CCC(N)=S)C1CC1.
What is the InChIKey of 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide?
The InChIKey is OXAOLGYGMFSBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-3-12(4-2)17(14,15)13(9-5-6-9)8-7-10(11)16/h9H,3-8H2,1-2H3,(H2,11,16).
What are the key properties of 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide?
3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide has a molecular weight of 279.43 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(diethylsulfamoyl)amino]propanethioamide is sourced from PubChem (CID 54997238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).