4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine

C13H21N3S2 — CID 83009498

IUPAC4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine
SMILESC[C@H]1CC(NN2CCN(C)CC2)c2ccsc2S1
InChIInChI=1S/C13H21N3S2/c1-10-9-12(11-3-8-17-13(11)18-10)14-16-6-4-15(2)5-7-16/h3,8,10,12,14H,4-7,9H2,1-2H3/t10-,12?/m0/s1
InChIKeyDHJOTJKKXSBGEM-NUHJPDEHSA-N
MW283.47 g/mol
LogP2.43
Rot. Bonds2

About 4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine

4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine (PubChem CID 83009498) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine
PubChem CID83009498
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine
SMILESC[C@H]1CC(NN2CCN(C)CC2)c2ccsc2S1
InChIInChI=1S/C13H21N3S2/c1-10-9-12(11-3-8-17-13(11)18-10)14-16-6-4-15(2)5-7-16/h3,8,10,12,14H,4-7,9H2,1-2H3/t10-,12?/m0/s1
InChIKeyDHJOTJKKXSBGEM-NUHJPDEHSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine (CID 83009498) is 4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine is C[C@H]1CC(NN2CCN(C)CC2)c2ccsc2S1.
What is the InChIKey of 4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine?
The InChIKey is DHJOTJKKXSBGEM-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-10-9-12(11-3-8-17-13(11)18-10)14-16-6-4-15(2)5-7-16/h3,8,10,12,14H,4-7,9H2,1-2H3/t10-,12?/m0/s1.
What are the key properties of 4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine?
4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine has a molecular weight of 283.47 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine is sourced from PubChem (CID 83009498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).