6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

C17H24N3O2S+ — CID 6942138

IUPAC6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
SMILESCCSc1[nH+]c(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C17H23N3O2S/c1-4-23-16-13(10-18)12-9-17(2,3)22-11-14(12)15(19-16)20-5-7-21-8-6-20/h4-9,11H2,1-3H3/p+1
InChIKeyYIDCGOFVYGKAEP-UHFFFAOYSA-O
MW334.47 g/mol
LogP2.17
Rot. Bonds3

About 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile (PubChem CID 6942138) has the molecular formula C17H24N3O2S+ and a molecular weight of 334.47 g/mol. Its IUPAC name is 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile.

Molecular Properties

Compound Name6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
PubChem CID6942138
Molecular FormulaC17H24N3O2S+
Molecular Weight334.47 g/mol
Exact Mass334.16
IUPAC Name6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
SMILESCCSc1[nH+]c(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C17H23N3O2S/c1-4-23-16-13(10-18)12-9-17(2,3)22-11-14(12)15(19-16)20-5-7-21-8-6-20/h4-9,11H2,1-3H3/p+1
InChIKeyYIDCGOFVYGKAEP-UHFFFAOYSA-O
XLogP2.17
TPSA59.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]propanoate
CID 6960247
(2R)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]propanoate
CID 7358610
3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 7358488
6-[(3,4-dichlorophenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 3290963
ethyl (2R)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
CID 1205092
3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282571
3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123982145
6-[2-(3-cyanophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281624
8-butyl-3,3-dimethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71702253
3,3-dimethyl-8-phenyl-6-piperidin-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 7350061
3,3-dimethyl-8-morpholin-4-yl-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 1422474
2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2964834

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The IUPAC name of 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile (CID 6942138) is 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile.
What is the SMILES notation for 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The canonical SMILES for 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile is CCSc1[nH+]c(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
The InChIKey is YIDCGOFVYGKAEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N3O2S/c1-4-23-16-13(10-18)12-9-17(2,3)22-11-14(12)15(19-16)20-5-7-21-8-6-20/h4-9,11H2,1-3H3/p+1.
What are the key properties of 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile?
6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile has a molecular weight of 334.47 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile is sourced from PubChem (CID 6942138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).