(10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene

C22H23NOS — CID 102241230

IUPAC(10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene
SMILESCN1Cc2ccccc2-c2cscc2COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H23NOS/c1-23-12-18-9-5-6-10-21(18)22-16-25-15-19(22)13-24-14-20(23)11-17-7-3-2-4-8-17/h2-10,15-16,20H,11-14H2,1H3/t20-/m0/s1
InChIKeyCDMZINKVRVKIDY-FQEVSTJZSA-N
MW349.50 g/mol
LogP4.99
Rot. Bonds2

About (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene

(10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene (PubChem CID 102241230) has the molecular formula C22H23NOS and a molecular weight of 349.50 g/mol. Its IUPAC name is (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene.

Molecular Properties

Compound Name(10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene
PubChem CID102241230
Molecular FormulaC22H23NOS
Molecular Weight349.50 g/mol
Exact Mass349.15
IUPAC Name(10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene
SMILESCN1Cc2ccccc2-c2cscc2COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H23NOS/c1-23-12-18-9-5-6-10-21(18)22-16-25-15-19(22)13-24-14-20(23)11-17-7-3-2-4-8-17/h2-10,15-16,20H,11-14H2,1H3/t20-/m0/s1
InChIKeyCDMZINKVRVKIDY-FQEVSTJZSA-N
XLogP4.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene 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

2-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 100321324
(2S)-2-[Methoxy(diphenyl)methyl]-1-[(thiophen-3-yl)methyl]pyrrolidine
CID 71375260
benzyl 1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 101873107
3,4-Dimethyl-5-phenyl-2-(2-thienyl)-1,3-oxazolidine
CID 11837460
[2-(2,8-Dithia-dibenzo[e,h]azulene-1-ylmethoxy)-ethyl]-dimethyl-amine
CID 11474095
3-(4-phenyl-1,3-dihydroisochromen-4-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 19028996
N,N-dimethyl-2-(3-thiatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethoxy)ethanamine
CID 22478353
2-Phenyl-4-[(4-thiophen-3-ylphenyl)methyl]morpholine
CID 23585110
1-[Methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine
CID 57311145
N,N-dimethyl-1-(5-oxa-10-thiatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),2(6),7(11),8,13,15-hexaen-4-yl)methanamine
CID 58081442
1-Benzhydryl-2-[(5-methylthiophen-2-yl)methoxy]azetidine
CID 67154575
1-(Diphenylmethyl)-3-(2-thienylmethoxy)azetidine
CID 67154602

Frequently Asked Questions

What is the IUPAC name of (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene?
The IUPAC name of (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene (CID 102241230) is (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene.
What is the SMILES notation for (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene?
The canonical SMILES for (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene is CN1Cc2ccccc2-c2cscc2COC[C@@H]1Cc1ccccc1.
What is the InChIKey of (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene?
The InChIKey is CDMZINKVRVKIDY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23NOS/c1-23-12-18-9-5-6-10-21(18)22-16-25-15-19(22)13-24-14-20(23)11-17-7-3-2-4-8-17/h2-10,15-16,20H,11-14H2,1H3/t20-/m0/s1.
What are the key properties of (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene?
(10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene has a molecular weight of 349.50 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene is sourced from PubChem (CID 102241230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).