7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine

C11H15NOS — CID 24763624

IUPAC7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine
SMILESCOc1ccc2c(c1)CN(C)CCS2
InChIInChI=1S/C11H15NOS/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyBGVCEGVSQDOGSB-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.23
Rot. Bonds1

About 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine

7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine (PubChem CID 24763624) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine.

Molecular Properties

Compound Name7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine
PubChem CID24763624
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine
SMILESCOc1ccc2c(c1)CN(C)CCS2
InChIInChI=1S/C11H15NOS/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyBGVCEGVSQDOGSB-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aladorian
CID 11161474
7-Methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
CID 11805628
4-(3-Methoxybenzyl)thiomorpholine
CID 763908
1-(7-Methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)prop-2-en-1-one
CID 11391024
2-iodo-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone
CID 11405814
7-methoxy-4-[methoxy(phenyl)phosphoryl]-3,5-dihydro-2H-1,4-benzothiazepine
CID 16117016
7-methoxy-4-[methoxy(phenyl)phosphoryl]-3,5-dihydro-2H-1,4-benzothiazepine
CID 16117017
4-[2-(4-benzylpiperidin-1-yl)ethylsulfonyl]-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine
CID 16117949
N-butyl-N-[2-[(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)sulfonyl]ethyl]butan-1-amine
CID 16117950
7-methoxy-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzothiazepine
CID 16118093
7-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzothiazepine
CID 16118094
(4-benzylpiperidin-1-yl)-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone
CID 16118095

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine?
The IUPAC name of 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine (CID 24763624) is 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine.
What is the SMILES notation for 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine?
The canonical SMILES for 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine is COc1ccc2c(c1)CN(C)CCS2.
What is the InChIKey of 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine?
The InChIKey is BGVCEGVSQDOGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine?
7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine has a molecular weight of 209.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine is sourced from PubChem (CID 24763624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).