7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one

C12H10N2OS — CID 67789231

IUPAC7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one
SMILESO=C1C=CCC2=CNc3cnccc3SC12
InChIInChI=1S/C12H10N2OS/c15-10-3-1-2-8-6-14-9-7-13-5-4-11(9)16-12(8)10/h1,3-7,12,14H,2H2
InChIKeyLMEYMJLNANXLAM-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.38
Rot. Bonds

About 7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one

7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one (PubChem CID 67789231) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one.

Molecular Properties

Compound Name7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one
PubChem CID67789231
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one
SMILESO=C1C=CCC2=CNc3cnccc3SC12
InChIInChI=1S/C12H10N2OS/c15-10-3-1-2-8-6-14-9-7-13-5-4-11(9)16-12(8)10/h1,3-7,12,14H,2H2
InChIKeyLMEYMJLNANXLAM-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one?
The IUPAC name of 7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one (CID 67789231) is 7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one.
What is the SMILES notation for 7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one?
The canonical SMILES for 7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one is O=C1C=CCC2=CNc3cnccc3SC12.
What is the InChIKey of 7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one?
The InChIKey is LMEYMJLNANXLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-10-3-1-2-8-6-14-9-7-13-5-4-11(9)16-12(8)10/h1,3-7,12,14H,2H2.
What are the key properties of 7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one?
7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one has a molecular weight of 230.29 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10a-dihydro-5H-pyrido[4,3-b][1,4]benzothiazepin-10-one is sourced from PubChem (CID 67789231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).