(3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine

C18H19NOS — CID 125490806

IUPAC(3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine
SMILESCOc1ccc2c(c1)CC[C@@H](c1ccccc1)N=C2SC
InChIInChI=1S/C18H19NOS/c1-20-15-9-10-16-14(12-15)8-11-17(19-18(16)21-2)13-6-4-3-5-7-13/h3-7,9-10,12,17H,8,11H2,1-2H3/t17-/m0/s1
InChIKeyPTCUKGWPTJAERX-KRWDZBQOSA-N
MW297.42 g/mol
LogP4.49
Rot. Bonds2

About (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine

(3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine (PubChem CID 125490806) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine.

Molecular Properties

Compound Name(3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine
PubChem CID125490806
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine
SMILESCOc1ccc2c(c1)CC[C@@H](c1ccccc1)N=C2SC
InChIInChI=1S/C18H19NOS/c1-20-15-9-10-16-14(12-15)8-11-17(19-18(16)21-2)13-6-4-3-5-7-13/h3-7,9-10,12,17H,8,11H2,1-2H3/t17-/m0/s1
InChIKeyPTCUKGWPTJAERX-KRWDZBQOSA-N
XLogP4.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
(E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine
CID 10647239
1-[(3R,3aR)-7-methoxy-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone
CID 872521
7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 134107340
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
7-methoxy-4-(4-methoxyphenyl)-3-phenylsulfanyl-1,2-dihydronaphthalene
CID 11689312
1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride
CID 70167234
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
(NE)-N-(7-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 10635537
(4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one
CID 7056752

Frequently Asked Questions

What is the IUPAC name of (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine?
The IUPAC name of (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine (CID 125490806) is (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine.
What is the SMILES notation for (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine?
The canonical SMILES for (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine is COc1ccc2c(c1)CC[C@@H](c1ccccc1)N=C2SC.
What is the InChIKey of (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine?
The InChIKey is PTCUKGWPTJAERX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NOS/c1-20-15-9-10-16-14(12-15)8-11-17(19-18(16)21-2)13-6-4-3-5-7-13/h3-7,9-10,12,17H,8,11H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine?
(3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine has a molecular weight of 297.42 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine is sourced from PubChem (CID 125490806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).