6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide

C12H17N3OS — CID 43562927

IUPAC6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide
SMILESCCC1CN(c2ccc(C(N)=S)cn2)CCO1
InChIInChI=1S/C12H17N3OS/c1-2-10-8-15(5-6-16-10)11-4-3-9(7-14-11)12(13)17/h3-4,7,10H,2,5-6,8H2,1H3,(H2,13,17)
InChIKeyRHCRGHRXXFAGQA-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.33
Rot. Bonds3

About 6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide

6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide (PubChem CID 43562927) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide
PubChem CID43562927
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide
SMILESCCC1CN(c2ccc(C(N)=S)cn2)CCO1
InChIInChI=1S/C12H17N3OS/c1-2-10-8-15(5-6-16-10)11-4-3-9(7-14-11)12(13)17/h3-4,7,10H,2,5-6,8H2,1H3,(H2,13,17)
InChIKeyRHCRGHRXXFAGQA-UHFFFAOYSA-N
XLogP1.33
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.33
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

[6-(2-ethylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 43562218
6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 79839721
5-(2-ethylmorpholin-4-yl)pyrazin-2-amine
CID 80652381
[6-(2-ethylmorpholin-4-yl)pyridazin-3-yl]methanamine
CID 62284627
6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
CID 106669549
5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide
CID 81203585
6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide
CID 24709307
[4-(5-methoxy-2-pyridinyl)morpholin-2-yl]methanol
CID 106504669
2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965247
N'-hydroxy-6-(2-methylmorpholin-4-yl)pyridine-3-carboximidamide
CID 24693054
[4-[5-(ethylaminomethyl)-2-pyridinyl]morpholin-2-yl]methanol
CID 81204265
2-(2-ethylmorpholin-4-yl)pyrimidin-5-amine
CID 61147387

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide?
The IUPAC name of 6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide (CID 43562927) is 6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide?
The canonical SMILES for 6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide is CCC1CN(c2ccc(C(N)=S)cn2)CCO1.
What is the InChIKey of 6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide?
The InChIKey is RHCRGHRXXFAGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-2-10-8-15(5-6-16-10)11-4-3-9(7-14-11)12(13)17/h3-4,7,10H,2,5-6,8H2,1H3,(H2,13,17).
What are the key properties of 6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide?
6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide has a molecular weight of 251.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide is sourced from PubChem (CID 43562927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).