ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate

C17H23NO2S2 — CID 143292491

IUPACethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate
SMILESCCOS(=O)c1cc2cc3c(nc2s1)CC[C@@H](C(C)(C)C)C3
InChIInChI=1S/C17H23NO2S2/c1-5-20-22(19)15-10-12-8-11-9-13(17(2,3)4)6-7-14(11)18-16(12)21-15/h8,10,13H,5-7,9H2,1-4H3/t13-,22?/m1/s1
InChIKeyUTUDTTUBBNHREY-BXWDTWGJSA-N
MW337.51 g/mol
LogP4.51
Rot. Bonds3

About ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate

ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate (PubChem CID 143292491) has the molecular formula C17H23NO2S2 and a molecular weight of 337.51 g/mol. Its IUPAC name is ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate.

Molecular Properties

Compound Nameethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate
PubChem CID143292491
Molecular FormulaC17H23NO2S2
Molecular Weight337.51 g/mol
Exact Mass337.12
IUPAC Nameethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate
SMILESCCOS(=O)c1cc2cc3c(nc2s1)CC[C@@H](C(C)(C)C)C3
InChIInChI=1S/C17H23NO2S2/c1-5-20-22(19)15-10-12-8-11-9-13(17(2,3)4)6-7-14(11)18-16(12)21-15/h8,10,13H,5-7,9H2,1-4H3/t13-,22?/m1/s1
InChIKeyUTUDTTUBBNHREY-BXWDTWGJSA-N
XLogP4.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate?
The IUPAC name of ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate (CID 143292491) is ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate.
What is the SMILES notation for ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate?
The canonical SMILES for ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate is CCOS(=O)c1cc2cc3c(nc2s1)CC[C@@H](C(C)(C)C)C3.
What is the InChIKey of ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate?
The InChIKey is UTUDTTUBBNHREY-BXWDTWGJSA-N. The full InChI is InChI=1S/C17H23NO2S2/c1-5-20-22(19)15-10-12-8-11-9-13(17(2,3)4)6-7-14(11)18-16(12)21-15/h8,10,13H,5-7,9H2,1-4H3/t13-,22?/m1/s1.
What are the key properties of ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate?
ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate has a molecular weight of 337.51 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-sulfinate is sourced from PubChem (CID 143292491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).