4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide

C11H15N3OS — CID 79680850

IUPAC4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(Cc2ccccn2)CCO1
InChIInChI=1S/C11H15N3OS/c12-11(16)10-8-14(5-6-15-10)7-9-3-1-2-4-13-9/h1-4,10H,5-8H2,(H2,12,16)
InChIKeyDWSKZCOZLWQAQD-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.57
Rot. Bonds3

About 4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide

4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide (PubChem CID 79680850) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide
PubChem CID79680850
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(Cc2ccccn2)CCO1
InChIInChI=1S/C11H15N3OS/c12-11(16)10-8-14(5-6-15-10)7-9-3-1-2-4-13-9/h1-4,10H,5-8H2,(H2,12,16)
InChIKeyDWSKZCOZLWQAQD-UHFFFAOYSA-N
XLogP0.57
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676156
4-[(1-methyltriazol-4-yl)methyl]morpholine-2-carbothioamide
CID 107042983
4-[(2,6-dichlorophenyl)methyl]morpholine-2-carbothioamide
CID 79681122
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
CID 77041469
4-(4-phenylbutyl)morpholine-2-carbothioamide
CID 114333646
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide
CID 115331860
2-methyl-6-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]pyridin-4-amine
CID 124991314
(5aR,8aR)-4-ethyl-7-(pyridin-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 124830922
4-[(2,5-dimethylphenyl)methyl]morpholine-2-carbothioamide
CID 79681213

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide (CID 79680850) is 4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide is NC(=S)C1CN(Cc2ccccn2)CCO1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide?
The InChIKey is DWSKZCOZLWQAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c12-11(16)10-8-14(5-6-15-10)7-9-3-1-2-4-13-9/h1-4,10H,5-8H2,(H2,12,16).
What are the key properties of 4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide?
4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide has a molecular weight of 237.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79680850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).