(9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine

C10H15NS — CID 10487655

IUPAC(9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine
SMILESCN1CCC/C=C2/SC=CC2C1
InChIInChI=1S/C10H15NS/c1-11-6-3-2-4-10-9(8-11)5-7-12-10/h4-5,7,9H,2-3,6,8H2,1H3/b10-4+
InChIKeyPJTHENHLEHCXAO-ONNFQVAWSA-N
MW181.30 g/mol
LogP2.47
Rot. Bonds

About (9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine

(9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine (PubChem CID 10487655) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine.

Molecular Properties

Compound Name(9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine
PubChem CID10487655
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine
SMILESCN1CCC/C=C2/SC=CC2C1
InChIInChI=1S/C10H15NS/c1-11-6-3-2-4-10-9(8-11)5-7-12-10/h4-5,7,9H,2-3,6,8H2,1H3/b10-4+
InChIKeyPJTHENHLEHCXAO-ONNFQVAWSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57000948
N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine
CID 57082603
3-(2,3-Dihydrothiophen-5-yl)-1-methylpyrrolidine
CID 57227293
(Z)-N,N,3-trimethyl-4-methylsulfanylhept-4-en-1-amine
CID 143782135
(5R,6Z)-3,5-dimethyl-3-(2-methylpropyl)-4,5,8,9-tetrahydro-2H-1,3-thiazonin-3-ium
CID 164045884
(9Z)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine
CID 10511618
N,N-dimethyl-1-(2-methylsulfanylcyclopenta-2,4-dien-1-yl)methanamine
CID 129688384

Frequently Asked Questions

What is the IUPAC name of (9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine?
The IUPAC name of (9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine (CID 10487655) is (9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine.
What is the SMILES notation for (9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine?
The canonical SMILES for (9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine is CN1CCC/C=C2/SC=CC2C1.
What is the InChIKey of (9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine?
The InChIKey is PJTHENHLEHCXAO-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H15NS/c1-11-6-3-2-4-10-9(8-11)5-7-12-10/h4-5,7,9H,2-3,6,8H2,1H3/b10-4+.
What are the key properties of (9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine?
(9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine has a molecular weight of 181.30 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine is sourced from PubChem (CID 10487655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).