2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one

C14H13NO2S — CID 3242308

IUPAC2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
SMILESCN1C(=O)CC(c2ccco2)Sc2ccccc21
InChIInChI=1S/C14H13NO2S/c1-15-10-5-2-3-7-12(10)18-13(9-14(15)16)11-6-4-8-17-11/h2-8,13H,9H2,1H3
InChIKeyOSLLXINIFCNXJW-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.48
Rot. Bonds1

About 2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one

2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one (PubChem CID 3242308) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
PubChem CID3242308
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
SMILESCN1C(=O)CC(c2ccco2)Sc2ccccc21
InChIInChI=1S/C14H13NO2S/c1-15-10-5-2-3-7-12(10)18-13(9-14(15)16)11-6-4-8-17-11/h2-8,13H,9H2,1H3
InChIKeyOSLLXINIFCNXJW-UHFFFAOYSA-N
XLogP3.48
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one?
The IUPAC name of 2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one (CID 3242308) is 2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one is CN1C(=O)CC(c2ccco2)Sc2ccccc21.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one?
The InChIKey is OSLLXINIFCNXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-15-10-5-2-3-7-12(10)18-13(9-14(15)16)11-6-4-8-17-11/h2-8,13H,9H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one?
2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one has a molecular weight of 259.33 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one is sourced from PubChem (CID 3242308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).