2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone

C15H21N3O2S — CID 74230397

IUPAC2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone
SMILESO=C(C(c1cccnc1)N1CCOCC1)N1CCSCC1
InChIInChI=1S/C15H21N3O2S/c19-15(18-6-10-21-11-7-18)14(13-2-1-3-16-12-13)17-4-8-20-9-5-17/h1-3,12,14H,4-11H2
InChIKeySTXYDZKACYHXQV-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.03
Rot. Bonds3

About 2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone

2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone (PubChem CID 74230397) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone
PubChem CID74230397
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone
SMILESO=C(C(c1cccnc1)N1CCOCC1)N1CCSCC1
InChIInChI=1S/C15H21N3O2S/c19-15(18-6-10-21-11-7-18)14(13-2-1-3-16-12-13)17-4-8-20-9-5-17/h1-3,12,14H,4-11H2
InChIKeySTXYDZKACYHXQV-UHFFFAOYSA-N
XLogP1.03
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203647
(2R)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203648
2-morpholin-4-yl-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 72928474
3-[1-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 97276057
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidin-2-one
CID 71083509
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone
CID 72917291
(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 97284567
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
(2R)-N-ethyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(pyridin-4-ylmethyl)acetamide
CID 97154727
(2S)-N-ethyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(pyridin-4-ylmethyl)acetamide
CID 97154728

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone (CID 74230397) is 2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone is O=C(C(c1cccnc1)N1CCOCC1)N1CCSCC1.
What is the InChIKey of 2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone?
The InChIKey is STXYDZKACYHXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-15(18-6-10-21-11-7-18)14(13-2-1-3-16-12-13)17-4-8-20-9-5-17/h1-3,12,14H,4-11H2.
What are the key properties of 2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone?
2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone has a molecular weight of 307.42 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 74230397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).