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

C15H22N4S — CID 3713305

IUPAC6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(NCCN)c(C#N)c2c1CSC(C)(C)C2
InChIInChI=1S/C15H22N4S/c1-4-13-12-9-20-15(2,3)7-10(12)11(8-17)14(19-13)18-6-5-16/h4-7,9,16H2,1-3H3,(H,18,19)
InChIKeyBFHVLWAFTCTCRH-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.45
Rot. Bonds4

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

6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 3713305) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID3713305
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCc1nc(NCCN)c(C#N)c2c1CSC(C)(C)C2
InChIInChI=1S/C15H22N4S/c1-4-13-12-9-20-15(2,3)7-10(12)11(8-17)14(19-13)18-6-5-16/h4-7,9,16H2,1-3H3,(H,18,19)
InChIKeyBFHVLWAFTCTCRH-UHFFFAOYSA-N
XLogP2.45
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile (CID 3713305) is 6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is CCc1nc(NCCN)c(C#N)c2c1CSC(C)(C)C2.
What is the InChIKey of 6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is BFHVLWAFTCTCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-13-12-9-20-15(2,3)7-10(12)11(8-17)14(19-13)18-6-5-16/h4-7,9,16H2,1-3H3,(H,18,19).
What are the key properties of 6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 290.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 3713305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).