6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone

C17H15NOS2 — CID 81265923

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3cc4c(s3)CCSC4)c[nH]c2c1
InChIInChI=1S/C17H15NOS2/c1-10-2-3-12-13(8-18-14(12)6-10)17(19)16-7-11-9-20-5-4-15(11)21-16/h2-3,6-8,18H,4-5,9H2,1H3
InChIKeyXVFLOHVCHSYLIL-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.56
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone (PubChem CID 81265923) has the molecular formula C17H15NOS2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone
PubChem CID81265923
Molecular FormulaC17H15NOS2
Molecular Weight313.45 g/mol
Exact Mass313.06
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3cc4c(s3)CCSC4)c[nH]c2c1
InChIInChI=1S/C17H15NOS2/c1-10-2-3-12-13(8-18-14(12)6-10)17(19)16-7-11-9-20-5-4-15(11)21-16/h2-3,6-8,18H,4-5,9H2,1H3
InChIKeyXVFLOHVCHSYLIL-UHFFFAOYSA-N
XLogP4.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone with MolForge

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626505
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone
CID 81269669
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 114972937
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(5-bromofuran-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 43463712
2-chloro-1-(6-methyl-1H-indol-3-yl)propan-1-one
CID 43163342
(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237633
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone (CID 81265923) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone is Cc1ccc2c(C(=O)c3cc4c(s3)CCSC4)c[nH]c2c1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone?
The InChIKey is XVFLOHVCHSYLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS2/c1-10-2-3-12-13(8-18-14(12)6-10)17(19)16-7-11-9-20-5-4-15(11)21-16/h2-3,6-8,18H,4-5,9H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone has a molecular weight of 313.45 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 81265923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).