(6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C17H19NS2 — CID 81337819

IUPAC(6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NCC2Cc3ccccc32)c2ccsc2S1
InChIInChI=1S/C17H19NS2/c1-11-8-16(15-6-7-19-17(15)20-11)18-10-13-9-12-4-2-3-5-14(12)13/h2-7,11,13,16,18H,8-10H2,1H3/t11-,13?,16?/m0/s1
InChIKeyWVKJPRQTHUDRHM-XOMBGVMMSA-N
MW301.48 g/mol
LogP4.60
Rot. Bonds3

About (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

(6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 81337819) has the molecular formula C17H19NS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID81337819
Molecular FormulaC17H19NS2
Molecular Weight301.48 g/mol
Exact Mass301.10
IUPAC Name(6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NCC2Cc3ccccc32)c2ccsc2S1
InChIInChI=1S/C17H19NS2/c1-11-8-16(15-6-7-19-17(15)20-11)18-10-13-9-12-4-2-3-5-14(12)13/h2-7,11,13,16,18H,8-10H2,1H3/t11-,13?,16?/m0/s1
InChIKeyWVKJPRQTHUDRHM-XOMBGVMMSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
CID 66418322
3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-1-ol
CID 81301803
(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103788629
1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 81338146
(6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 107386141
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64752201
(6S)-N-(2-cyclobutylethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103903461
(6S)-6-methyl-N-pent-4-ynyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103786897
(6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297813
(6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 104926388
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine
CID 83009498

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 81337819) is (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is C[C@H]1CC(NCC2Cc3ccccc32)c2ccsc2S1.
What is the InChIKey of (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is WVKJPRQTHUDRHM-XOMBGVMMSA-N. The full InChI is InChI=1S/C17H19NS2/c1-11-8-16(15-6-7-19-17(15)20-11)18-10-13-9-12-4-2-3-5-14(12)13/h2-7,11,13,16,18H,8-10H2,1H3/t11-,13?,16?/m0/s1.
What are the key properties of (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 301.48 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 81337819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).