6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol

C14H15NOS2 — CID 115817820

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H15NOS2/c1-9-2-4-15-7-11(9)14(16)13-6-10-8-17-5-3-12(10)18-13/h2,4,6-7,14,16H,3,5,8H2,1H3
InChIKeyVLHXNKQPLBTORR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.32
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol (PubChem CID 115817820) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol
PubChem CID115817820
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H15NOS2/c1-9-2-4-15-7-11(9)14(16)13-6-10-8-17-5-3-12(10)18-13/h2,4,6-7,14,16H,3,5,8H2,1H3
InChIKeyVLHXNKQPLBTORR-UHFFFAOYSA-N
XLogP3.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol (CID 115817820) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol is Cc1ccncc1C(O)c1cc2c(s1)CCSC2.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol?
The InChIKey is VLHXNKQPLBTORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-9-2-4-15-7-11(9)14(16)13-6-10-8-17-5-3-12(10)18-13/h2,4,6-7,14,16H,3,5,8H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol has a molecular weight of 277.41 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115817820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).