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

C12H17NOS2 — CID 151494408

IUPACN-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
SMILESCCN(C(C)=O)[C@H]1C[C@H](C)Sc2sccc21
InChIInChI=1S/C12H17NOS2/c1-4-13(9(3)14)11-7-8(2)16-12-10(11)5-6-15-12/h5-6,8,11H,4,7H2,1-3H3/t8-,11-/m0/s1
InChIKeyPPCVBQYUHQBROQ-KWQFWETISA-N
MW255.41 g/mol
LogP3.54
Rot. Bonds2

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

N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide (PubChem CID 151494408) has the molecular formula C12H17NOS2 and a molecular weight of 255.41 g/mol. Its IUPAC name is N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
PubChem CID151494408
Molecular FormulaC12H17NOS2
Molecular Weight255.41 g/mol
Exact Mass255.08
IUPAC NameN-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
SMILESCCN(C(C)=O)[C@H]1C[C@H](C)Sc2sccc21
InChIInChI=1S/C12H17NOS2/c1-4-13(9(3)14)11-7-8(2)16-12-10(11)5-6-15-12/h5-6,8,11H,4,7H2,1-3H3/t8-,11-/m0/s1
InChIKeyPPCVBQYUHQBROQ-KWQFWETISA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide with MolForge

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Related Compounds

(6R)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
CID 169444104
(4R,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
CID 10465057
N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
CID 81322736
(2S)-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]butan-1-ol
CID 104980858
(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 103906920
N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
CID 81327764
3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-1-ol
CID 81301803
2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone
CID 103777424
(6S)-N-cyclohexyl-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81300957
(6S)-N-[3-(2-methoxyethoxy)propyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81301909
(6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 113348939
(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103788629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide?
The IUPAC name of N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide (CID 151494408) is N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide?
The canonical SMILES for N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide is CCN(C(C)=O)[C@H]1C[C@H](C)Sc2sccc21.
What is the InChIKey of N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide?
The InChIKey is PPCVBQYUHQBROQ-KWQFWETISA-N. The full InChI is InChI=1S/C12H17NOS2/c1-4-13(9(3)14)11-7-8(2)16-12-10(11)5-6-15-12/h5-6,8,11H,4,7H2,1-3H3/t8-,11-/m0/s1.
What are the key properties of N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide?
N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide has a molecular weight of 255.41 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4S,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide is sourced from PubChem (CID 151494408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).