8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile

C15H21N3OS — CID 3252833

IUPAC8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(NCCO)c(C#N)c2c1CSC(C)(C)C2
InChIInChI=1S/C15H21N3OS/c1-4-13-12-9-20-15(2,3)7-10(12)11(8-16)14(18-13)17-5-6-19/h19H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyTZPIEFYTELBXRJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.49
Rot. Bonds4

About 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile

8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 3252833) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID3252833
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(NCCO)c(C#N)c2c1CSC(C)(C)C2
InChIInChI=1S/C15H21N3OS/c1-4-13-12-9-20-15(2,3)7-10(12)11(8-16)14(18-13)17-5-6-19/h19H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyTZPIEFYTELBXRJ-UHFFFAOYSA-N
XLogP2.49
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile with MolForge

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Related Compounds

3-((2-Hydroxyethyl)amino)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 4526926
1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 2914707
1-Ethyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3695410
3-(2-Hydroxyethylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3797618
8-Butyl-3,4-dihydro-3,3-dimethyl-6-(1-piperazinyl)-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
CID 623871
6-((2-aminoethyl)amino)-8-ethyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
CID 3713305
8-Ethyl-3,3-dimethyl-6-(1-piperazinyl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
CID 619096
6-(2-Aminoethylamino)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
CID 1897631
3-[(3-Hydroxypropyl)amino]-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 4220517
1-Ethyl-3-(3-hydroxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3609961
1-Ethyl-3-[(1-hydroxybutan-2-yl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 17585169
3-((3-Hydroxypropyl)amino)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3724095

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile (CID 3252833) is 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is CCc1nc(NCCO)c(C#N)c2c1CSC(C)(C)C2.
What is the InChIKey of 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is TZPIEFYTELBXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-13-12-9-20-15(2,3)7-10(12)11(8-16)14(18-13)17-5-6-19/h19H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 291.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(2-hydroxyethylamino)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 3252833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).