N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine

C19H24N2O2S — CID 167113496

IUPACN-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine
SMILESCOCCCNC1c2ccc(C)cc2N(C)S(=O)c2ccccc21
InChIInChI=1S/C19H24N2O2S/c1-14-9-10-15-17(13-14)21(2)24(22)18-8-5-4-7-16(18)19(15)20-11-6-12-23-3/h4-5,7-10,13,19-20H,6,11-12H2,1-3H3
InChIKeyLIQSLUICNAQKEO-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.18
Rot. Bonds5

About N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine

N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine (PubChem CID 167113496) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine
PubChem CID167113496
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine
SMILESCOCCCNC1c2ccc(C)cc2N(C)S(=O)c2ccccc21
InChIInChI=1S/C19H24N2O2S/c1-14-9-10-15-17(13-14)21(2)24(22)18-8-5-4-7-16(18)19(15)20-11-6-12-23-3/h4-5,7-10,13,19-20H,6,11-12H2,1-3H3
InChIKeyLIQSLUICNAQKEO-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine with MolForge

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Related Compounds

N-(3-methoxypropyl)-3,6-dimethyl-11H-benzo[c][2,1]benzothiazepin-11-amine
CID 144921809
ethane;N-(3-methoxypropyl)-3,6-dimethyl-11H-benzo[c][2,1]benzothiazepin-11-amine
CID 145278037
N-(7-methoxyheptyl)-3,6-dimethyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine
CID 130287111
carbon dioxide;2,6-dimethyl-N-octyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine;N-(3-methoxypropyl)-2,6-dimethyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine;bis(N-(3-methoxypropyl)-3,6-dimethyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine)
CID 157324584
carbon dioxide;4-[(3,6-dimethyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]butan-1-ol;3,6-dimethyl-N-octyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine;N-heptyl-3,6-dimethyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine;N-(3-methoxypropyl)-3,6-dimethyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine
CID 165015537
3-iodo-N-(3-methoxypropyl)-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine
CID 126712998
3-ethyl-N-(3-methoxypropyl)-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine
CID 123564075
N-(3-methoxypropyl)-6-methyl-5,5-dioxo-3-propan-2-ylsulfanyl-11H-benzo[c][2,1]benzothiazepin-11-amine
CID 123509942
3-chloro-N-(4-methoxybutyl)-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine
CID 126713077
6-ethyl-N-(3-methoxypropyl)-11H-benzo[c][1,2]benzothiazepin-11-amine
CID 144921713
bis(N-(3-methoxypropyl)-3,6-dimethyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine);N-(3-methoxypropyl)-6-methyl-3-methylsulfinyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine;6-[(6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)amino]hexyl formate
CID 158035299
7-[(3,6-dimethyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)-methylamino]heptan-2-one;N-(3-methoxypropyl)-2,6-dimethyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine;N-(3-methoxypropyl)-N,3,6-trimethyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine;N,3,6-trimethyl-5,5-dioxo-N-pentyl-11H-benzo[c][2,1]benzothiazepin-11-amine
CID 157485126

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine?
The IUPAC name of N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine (CID 167113496) is N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine.
What is the SMILES notation for N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine?
The canonical SMILES for N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine is COCCCNC1c2ccc(C)cc2N(C)S(=O)c2ccccc21.
What is the InChIKey of N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine?
The InChIKey is LIQSLUICNAQKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-9-10-15-17(13-14)21(2)24(22)18-8-5-4-7-16(18)19(15)20-11-6-12-23-3/h4-5,7-10,13,19-20H,6,11-12H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine?
N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine has a molecular weight of 344.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6,8-dimethyl-5-oxo-11H-benzo[c][1,2]benzothiazepin-11-amine is sourced from PubChem (CID 167113496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).