4-(cyclobutanecarbonyl)morpholine-2-carbothioamide

C10H16N2O2S — CID 79674396

IUPAC4-(cyclobutanecarbonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(C(=O)C2CCC2)CCO1
InChIInChI=1S/C10H16N2O2S/c11-9(15)8-6-12(4-5-14-8)10(13)7-2-1-3-7/h7-8H,1-6H2,(H2,11,15)
InChIKeyZWOGOTWUJKUJMS-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.30
Rot. Bonds2

About 4-(cyclobutanecarbonyl)morpholine-2-carbothioamide

4-(cyclobutanecarbonyl)morpholine-2-carbothioamide (PubChem CID 79674396) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)morpholine-2-carbothioamide
PubChem CID79674396
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(cyclobutanecarbonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(C(=O)C2CCC2)CCO1
InChIInChI=1S/C10H16N2O2S/c11-9(15)8-6-12(4-5-14-8)10(13)7-2-1-3-7/h7-8H,1-6H2,(H2,11,15)
InChIKeyZWOGOTWUJKUJMS-UHFFFAOYSA-N
XLogP0.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(thiane-2-carbonyl)morpholine-2-carbothioamide
CID 80594270
N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide
CID 79680809
4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide
CID 79674134
4-(4-methylpentanoyl)morpholine-2-carbothioamide
CID 79674672
2-carbamothioyl-N-phenylmorpholine-4-carboxamide
CID 79675023
2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
CID 79675024
4-(1-butanoylpiperidine-3-carbonyl)morpholine-2-carboxamide
CID 49416925
2-carbamothioyl-N-(4-chlorophenyl)morpholine-4-carboxamide
CID 79674938
4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide
CID 79674149
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-(2,4,6-trimethylbenzoyl)morpholine-2-carbothioamide
CID 79674045
4-(3,5-difluorobenzoyl)morpholine-2-carbothioamide
CID 79675366

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(cyclobutanecarbonyl)morpholine-2-carbothioamide (CID 79674396) is 4-(cyclobutanecarbonyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(cyclobutanecarbonyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(cyclobutanecarbonyl)morpholine-2-carbothioamide is NC(=S)C1CN(C(=O)C2CCC2)CCO1.
What is the InChIKey of 4-(cyclobutanecarbonyl)morpholine-2-carbothioamide?
The InChIKey is ZWOGOTWUJKUJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-9(15)8-6-12(4-5-14-8)10(13)7-2-1-3-7/h7-8H,1-6H2,(H2,11,15).
What are the key properties of 4-(cyclobutanecarbonyl)morpholine-2-carbothioamide?
4-(cyclobutanecarbonyl)morpholine-2-carbothioamide has a molecular weight of 228.32 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79674396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).