6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride

C15H16ClNS — CID 11948778

IUPAC6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride
SMILESCl.NCC1c2ccccc2CSc2ccccc21
InChIInChI=1S/C15H15NS.ClH/c16-9-14-12-6-2-1-5-11(12)10-17-15-8-4-3-7-13(14)15;/h1-8,14H,9-10,16H2;1H
InChIKeyLLFAICDXHPLYIL-UHFFFAOYSA-N
MW277.82 g/mol
LogP3.80
Rot. Bonds1

About 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride

6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride (PubChem CID 11948778) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride
PubChem CID11948778
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride
SMILESCl.NCC1c2ccccc2CSc2ccccc21
InChIInChI=1S/C15H15NS.ClH/c16-9-14-12-6-2-1-5-11(12)10-17-15-8-4-3-7-13(14)15;/h1-8,14H,9-10,16H2;1H
InChIKeyLLFAICDXHPLYIL-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dothiepin Hydrochloride
CID 9884029
C-(9H-Thioxanthen-9-yl)-methylamine
CID 13167699
cis-Dothiepin hydrochloride
CID 6420022
1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N-methyl-
CID 1715125
Northiadene HCl
CID 6433218
6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine
CID 13310
(2,3-Dihydro-1-benzothiophen-3-yl)methanamine
CID 21834230
cis-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride
CID 5282425
1-Methyl-2-[2-(phenylsulfanyl)phenyl]ethylamine
CID 11834785
2-(5,6-dihydrobenzo[b][1]benzothiepin-5-ylsulfanyl)-N-methylethanamine
CID 12794964
Northiaden
CID 1715123
northiaden S-oxide
CID 6450308

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride?
The IUPAC name of 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride (CID 11948778) is 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride.
What is the SMILES notation for 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride?
The canonical SMILES for 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride is Cl.NCC1c2ccccc2CSc2ccccc21.
What is the InChIKey of 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride?
The InChIKey is LLFAICDXHPLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS.ClH/c16-9-14-12-6-2-1-5-11(12)10-17-15-8-4-3-7-13(14)15;/h1-8,14H,9-10,16H2;1H.
What are the key properties of 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride?
6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride has a molecular weight of 277.82 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethanamine;hydrochloride is sourced from PubChem (CID 11948778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).