(6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C14H21NOS2 — CID 113348939

IUPAC(6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC=C(C)COCCNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C14H21NOS2/c1-10(2)9-16-6-5-15-13-8-11(3)18-14-12(13)4-7-17-14/h4,7,11,13,15H,1,5-6,8-9H2,2-3H3/t11-,13?/m0/s1
InChIKeyDBKOFFAVOWKDNC-AMGKYWFPSA-N
MW283.46 g/mol
LogP3.86
Rot. Bonds6

About (6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

(6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 113348939) has the molecular formula C14H21NOS2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID113348939
Molecular FormulaC14H21NOS2
Molecular Weight283.46 g/mol
Exact Mass283.11
IUPAC Name(6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC=C(C)COCCNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C14H21NOS2/c1-10(2)9-16-6-5-15-13-8-11(3)18-14-12(13)4-7-17-14/h4,7,11,13,15H,1,5-6,8-9H2,2-3H3/t11-,13?/m0/s1
InChIKeyDBKOFFAVOWKDNC-AMGKYWFPSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 113348939) is (6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is C=C(C)COCCNC1C[C@H](C)Sc2sccc21.
What is the InChIKey of (6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is DBKOFFAVOWKDNC-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H21NOS2/c1-10(2)9-16-6-5-15-13-8-11(3)18-14-12(13)4-7-17-14/h4,7,11,13,15H,1,5-6,8-9H2,2-3H3/t11-,13?/m0/s1.
What are the key properties of (6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 283.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 113348939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).