6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one

C18H20N2O3S — CID 70769462

IUPAC6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
SMILESCC[C@H]1COCCN1C(=O)c1ccc2sc3c(c2c1)CCNC3=O
InChIInChI=1S/C18H20N2O3S/c1-2-12-10-23-8-7-20(12)18(22)11-3-4-15-14(9-11)13-5-6-19-17(21)16(13)24-15/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyOLRSKATUJLUZIH-LBPRGKRZSA-N
MW344.44 g/mol
LogP2.44
Rot. Bonds2

About 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one

6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one (PubChem CID 70769462) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one.

Molecular Properties

Compound Name6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
PubChem CID70769462
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
SMILESCC[C@H]1COCCN1C(=O)c1ccc2sc3c(c2c1)CCNC3=O
InChIInChI=1S/C18H20N2O3S/c1-2-12-10-23-8-7-20(12)18(22)11-3-4-15-14(9-11)13-5-6-19-17(21)16(13)24-15/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyOLRSKATUJLUZIH-LBPRGKRZSA-N
XLogP2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one with MolForge

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Related Compounds

(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640
6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
CID 72919174
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403
(3-ethylmorpholin-4-yl)-(4-fluoro-3-nitrophenyl)methanone
CID 43613168
3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43613610
[3-chloro-4-(3-hydroxyprop-1-ynyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 81290258
3-[3-[(3S)-3-ethylmorpholine-4-carbonyl]phenyl]chromen-2-one
CID 171908503
[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone
CID 63185055

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
The IUPAC name of 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one (CID 70769462) is 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one.
What is the SMILES notation for 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
The canonical SMILES for 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one is CC[C@H]1COCCN1C(=O)c1ccc2sc3c(c2c1)CCNC3=O.
What is the InChIKey of 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
The InChIKey is OLRSKATUJLUZIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-12-10-23-8-7-20(12)18(22)11-3-4-15-14(9-11)13-5-6-19-17(21)16(13)24-15/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one has a molecular weight of 344.44 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one is sourced from PubChem (CID 70769462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).