1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one

C15H22N2OS2 — CID 81329176

IUPAC1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C15H22N2OS2/c1-10(9-17-6-3-4-14(17)18)16-13-8-11(2)20-15-12(13)5-7-19-15/h5,7,10-11,13,16H,3-4,6,8-9H2,1-2H3/t10?,11-,13?/m0/s1
InChIKeyZJXMMLUUIPXGEO-AKJDGMEZSA-N
MW310.49 g/mol
LogP3.27
Rot. Bonds4

About 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one

1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 81329176) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one
PubChem CID81329176
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC Name1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C15H22N2OS2/c1-10(9-17-6-3-4-14(17)18)16-13-8-11(2)20-15-12(13)5-7-19-15/h5,7,10-11,13,16H,3-4,6,8-9H2,1-2H3/t10?,11-,13?/m0/s1
InChIKeyZJXMMLUUIPXGEO-AKJDGMEZSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
CID 81327764
1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one
CID 60936516
(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 103906920
1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 54865939
1-[(2S)-2-[[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]propyl]pyrrolidin-2-one
CID 124626760
1-[(2R)-2-[[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]propyl]pyrrolidin-2-one
CID 124626761
(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103788629
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 81329280
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one
CID 64992946
1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one
CID 60931847
(6S)-N-cyclohexyl-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81300957

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one (CID 81329176) is 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC1C[C@H](C)Sc2sccc21.
What is the InChIKey of 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is ZJXMMLUUIPXGEO-AKJDGMEZSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-10(9-17-6-3-4-14(17)18)16-13-8-11(2)20-15-12(13)5-7-19-15/h5,7,10-11,13,16H,3-4,6,8-9H2,1-2H3/t10?,11-,13?/m0/s1.
What are the key properties of 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one?
1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 310.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 81329176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).