2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide

C9H19N3O2S2 — CID 114808448

IUPAC2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide
SMILESCCNS(=O)(=O)N(CC(N)=S)C1CCCC1
InChIInChI=1S/C9H19N3O2S2/c1-2-11-16(13,14)12(7-9(10)15)8-5-3-4-6-8/h8,11H,2-7H2,1H3,(H2,10,15)
InChIKeyZKEXNWSAAVQHCQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.37
Rot. Bonds6

About 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide

2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide (PubChem CID 114808448) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide
PubChem CID114808448
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide
SMILESCCNS(=O)(=O)N(CC(N)=S)C1CCCC1
InChIInChI=1S/C9H19N3O2S2/c1-2-11-16(13,14)12(7-9(10)15)8-5-3-4-6-8/h8,11H,2-7H2,1H3,(H2,10,15)
InChIKeyZKEXNWSAAVQHCQ-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide 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-[ethylsulfamoyl(propyl)amino]ethanethioamide
CID 114808251
[cyanomethyl(ethylsulfamoyl)amino]cyclopentane
CID 114807945
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
2-[cyclopentyl(ethyl)amino]ethanethioamide
CID 43541169
2-[cyclopentyl(2-methoxyethylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 104978825
2-[cyclopentyl(methylsulfamoyl)amino]acetic acid
CID 114805551
ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate
CID 114466202
N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
CID 50849243
ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate
CID 114461853
2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide
CID 103300682
ethyl N-[2-bromoethyl(cyclobutyl)sulfamoyl]carbamate
CID 102873518

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide?
The IUPAC name of 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide (CID 114808448) is 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide.
What is the SMILES notation for 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide?
The canonical SMILES for 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide is CCNS(=O)(=O)N(CC(N)=S)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide?
The InChIKey is ZKEXNWSAAVQHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-2-11-16(13,14)12(7-9(10)15)8-5-3-4-6-8/h8,11H,2-7H2,1H3,(H2,10,15).
What are the key properties of 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide?
2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide has a molecular weight of 265.40 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide is sourced from PubChem (CID 114808448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).