4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide

C12H19N3O3S — CID 83102673

IUPAC4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide
SMILESCC1CC(C(=O)N2CCOCC2C(N)=O)(C(N)=S)C1
InChIInChI=1S/C12H19N3O3S/c1-7-4-12(5-7,10(14)19)11(17)15-2-3-18-6-8(15)9(13)16/h7-8H,2-6H2,1H3,(H2,13,16)(H2,14,19)
InChIKeyJXVXOWQPHWVSOT-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.60
Rot. Bonds3

About 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide

4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide (PubChem CID 83102673) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide
PubChem CID83102673
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide
SMILESCC1CC(C(=O)N2CCOCC2C(N)=O)(C(N)=S)C1
InChIInChI=1S/C12H19N3O3S/c1-7-4-12(5-7,10(14)19)11(17)15-2-3-18-6-8(15)9(13)16/h7-8H,2-6H2,1H3,(H2,13,16)(H2,14,19)
InChIKeyJXVXOWQPHWVSOT-UHFFFAOYSA-N
XLogP-0.60
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide 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

1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide
CID 80588871
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
4-(1-cyanocyclobutanecarbonyl)morpholine-3-carboxamide
CID 83102195
4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide
CID 83101865
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098809
1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
CID 80592759
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide
CID 83102064
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
(E)-4-[(3-carbamoylmorpholine-4-carbonyl)amino]but-2-enoic acid
CID 112746698
4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide
CID 83095670

Frequently Asked Questions

What is the IUPAC name of 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide?
The IUPAC name of 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide (CID 83102673) is 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide is CC1CC(C(=O)N2CCOCC2C(N)=O)(C(N)=S)C1.
What is the InChIKey of 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide?
The InChIKey is JXVXOWQPHWVSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-7-4-12(5-7,10(14)19)11(17)15-2-3-18-6-8(15)9(13)16/h7-8H,2-6H2,1H3,(H2,13,16)(H2,14,19).
What are the key properties of 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide?
4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide is sourced from PubChem (CID 83102673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).