3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine

C15H15ClN2OS — CID 163239919

IUPAC3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine
SMILESCNC1c2ccccc2N(C)S(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H15ClN2OS/c1-17-15-11-5-3-4-6-13(11)18(2)20(19)14-9-10(16)7-8-12(14)15/h3-9,15,17H,1-2H3
InChIKeyOEWNHRCBESAUJI-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.12
Rot. Bonds1

About 3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine

3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine (PubChem CID 163239919) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine.

Molecular Properties

Compound Name3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine
PubChem CID163239919
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine
SMILESCNC1c2ccccc2N(C)S(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H15ClN2OS/c1-17-15-11-5-3-4-6-13(11)18(2)20(19)14-9-10(16)7-8-12(14)15/h3-9,15,17H,1-2H3
InChIKeyOEWNHRCBESAUJI-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine?
The IUPAC name of 3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine (CID 163239919) is 3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine.
What is the SMILES notation for 3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine?
The canonical SMILES for 3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine is CNC1c2ccccc2N(C)S(=O)c2cc(Cl)ccc21.
What is the InChIKey of 3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine?
The InChIKey is OEWNHRCBESAUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-17-15-11-5-3-4-6-13(11)18(2)20(19)14-9-10(16)7-8-12(14)15/h3-9,15,17H,1-2H3.
What are the key properties of 3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine?
3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine has a molecular weight of 306.82 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,6-dimethyl-5-oxo-11H-benzo[c][2,1]benzothiazepin-11-amine is sourced from PubChem (CID 163239919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).