(11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide

C15H13NOS — CID 827179

IUPAC(11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide
SMILESNC(=O)[C@@H]1c2ccccc2CSc2ccccc21
InChIInChI=1S/C15H13NOS/c16-15(17)14-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)14/h1-8,14H,9H2,(H2,16,17)/t14-/m1/s1
InChIKeyKWMIYIVKXATREY-CQSZACIVSA-N
MW255.34 g/mol
LogP2.91
Rot. Bonds1

About (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide

(11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide (PubChem CID 827179) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide.

Molecular Properties

Compound Name(11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide
PubChem CID827179
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name(11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide
SMILESNC(=O)[C@@H]1c2ccccc2CSc2ccccc21
InChIInChI=1S/C15H13NOS/c16-15(17)14-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)14/h1-8,14H,9H2,(H2,16,17)/t14-/m1/s1
InChIKeyKWMIYIVKXATREY-CQSZACIVSA-N
XLogP2.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide with MolForge

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Related Compounds

2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
1-[(11S)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-3-ethylurea
CID 7112992
11-tert-butyl-6,11-dihydrobenzo[c][1]benzothiepine;ethane
CID 165013159
2-[[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]amino]acetic acid
CID 826748
bis(1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-ethylurea);hydrate
CID 21153532
(11S)-6,11-dihydrobenzo[c][1]benzothiepine-11-carbonitrile
CID 827066
2-phenylethyl N-[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]carbamate
CID 1032697
5-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-1,3-diazinane-2,4,6-trione
CID 51060093
but-2-enedioic acid;1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-methylpiperazine
CID 70458281
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
tert-butyl N-[(2S)-2-amino-2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)ethyl]carbamate
CID 67471743
2-[[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]sulfanyl]ethyl-dimethylazanium
CID 6947908

Frequently Asked Questions

What is the IUPAC name of (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide?
The IUPAC name of (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide (CID 827179) is (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide.
What is the SMILES notation for (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide?
The canonical SMILES for (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide is NC(=O)[C@@H]1c2ccccc2CSc2ccccc21.
What is the InChIKey of (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide?
The InChIKey is KWMIYIVKXATREY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13NOS/c16-15(17)14-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)14/h1-8,14H,9H2,(H2,16,17)/t14-/m1/s1.
What are the key properties of (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide?
(11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide is sourced from PubChem (CID 827179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).