6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide

C13H17N3O3S — CID 102932878

IUPAC6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide
SMILESCC1CN(C(=O)c2ccc(C(N)=S)cn2)CC(CO)O1
InChIInChI=1S/C13H17N3O3S/c1-8-5-16(6-10(7-17)19-8)13(18)11-3-2-9(4-15-11)12(14)20/h2-4,8,10,17H,5-7H2,1H3,(H2,14,20)
InChIKeyMMRZPURWEDYMFK-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.06
Rot. Bonds3

About 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide

6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide (PubChem CID 102932878) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide
PubChem CID102932878
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide
SMILESCC1CN(C(=O)c2ccc(C(N)=S)cn2)CC(CO)O1
InChIInChI=1S/C13H17N3O3S/c1-8-5-16(6-10(7-17)19-8)13(18)11-3-2-9(4-15-11)12(14)20/h2-4,8,10,17H,5-7H2,1H3,(H2,14,20)
InChIKeyMMRZPURWEDYMFK-UHFFFAOYSA-N
XLogP-0.06
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
CID 102934025
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
CID 79181657
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 102936109
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 102936156
(2-amino-6-chloro-4-pyridinyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936186
6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
CID 63980352
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 102934734
(3-hydroxy-4-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978661
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide?
The IUPAC name of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide (CID 102932878) is 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide?
The canonical SMILES for 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide is CC1CN(C(=O)c2ccc(C(N)=S)cn2)CC(CO)O1.
What is the InChIKey of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide?
The InChIKey is MMRZPURWEDYMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8-5-16(6-10(7-17)19-8)13(18)11-3-2-9(4-15-11)12(14)20/h2-4,8,10,17H,5-7H2,1H3,(H2,14,20).
What are the key properties of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide?
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide has a molecular weight of 295.36 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide is sourced from PubChem (CID 102932878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).