morpholine-2-carbothioamide

C5H10N2OS — CID 21455892

IUPACmorpholine-2-carbothioamide
SMILESNC(=S)C1CNCCO1
InChIInChI=1S/C5H10N2OS/c6-5(9)4-3-7-1-2-8-4/h4,7H,1-3H2,(H2,6,9)
InChIKeyVFBRWGUVMBEGRS-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.74
Rot. Bonds1

About morpholine-2-carbothioamide

morpholine-2-carbothioamide (PubChem CID 21455892) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is morpholine-2-carbothioamide.

Molecular Properties

Compound Namemorpholine-2-carbothioamide
PubChem CID21455892
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Namemorpholine-2-carbothioamide
SMILESNC(=S)C1CNCCO1
InChIInChI=1S/C5H10N2OS/c6-5(9)4-3-7-1-2-8-4/h4,7H,1-3H2,(H2,6,9)
InChIKeyVFBRWGUVMBEGRS-UHFFFAOYSA-N
XLogP-0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholine-2-carbothioamide?
The IUPAC name of morpholine-2-carbothioamide (CID 21455892) is morpholine-2-carbothioamide.
What is the SMILES notation for morpholine-2-carbothioamide?
The canonical SMILES for morpholine-2-carbothioamide is NC(=S)C1CNCCO1.
What is the InChIKey of morpholine-2-carbothioamide?
The InChIKey is VFBRWGUVMBEGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c6-5(9)4-3-7-1-2-8-4/h4,7H,1-3H2,(H2,6,9).
What are the key properties of morpholine-2-carbothioamide?
morpholine-2-carbothioamide has a molecular weight of 146.22 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-2-carbothioamide is sourced from PubChem (CID 21455892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).