3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine

C12H25N3S — CID 134502278

IUPAC3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine
SMILESCC1CNCC(CC2CSCCN2C)N1C
InChIInChI=1S/C12H25N3S/c1-10-7-13-8-11(15(10)3)6-12-9-16-5-4-14(12)2/h10-13H,4-9H2,1-3H3
InChIKeyXEFVQAVLRUARMU-UHFFFAOYSA-N
MW243.42 g/mol
LogP0.72
Rot. Bonds2

About 3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine

3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine (PubChem CID 134502278) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine.

Molecular Properties

Compound Name3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine
PubChem CID134502278
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine
SMILESCC1CNCC(CC2CSCCN2C)N1C
InChIInChI=1S/C12H25N3S/c1-10-7-13-8-11(15(10)3)6-12-9-16-5-4-14(12)2/h10-13H,4-9H2,1-3H3
InChIKeyXEFVQAVLRUARMU-UHFFFAOYSA-N
XLogP0.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Piperidinyl)thiomorpholine dihydrochloride
CID 47000644
Octahydropyrido(2,1-c)thiomorpholin-9-amine
CID 82411746
1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
1-(Tetrahydro-2H-thiopyran-4-yl)piperazine dihydrochloride
CID 54759030
1-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 45791268
1-Methyl-N-[3-(methylsulfanyl)propyl]piperidin-4-amine
CID 43216125
3-[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine
CID 66419968
N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103783186
1-(2-Piperidin-4-ylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 114628576
1-(Thian-3-yl)-2-(trifluoromethyl)piperazine
CID 115101272
1-(Thian-2-yl)-2-(trifluoromethyl)piperazine
CID 115101286

Frequently Asked Questions

What is the IUPAC name of 3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine?
The IUPAC name of 3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine (CID 134502278) is 3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine.
What is the SMILES notation for 3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine?
The canonical SMILES for 3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine is CC1CNCC(CC2CSCCN2C)N1C.
What is the InChIKey of 3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine?
The InChIKey is XEFVQAVLRUARMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-10-7-13-8-11(15(10)3)6-12-9-16-5-4-14(12)2/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine?
3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine has a molecular weight of 243.42 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,6-dimethylpiperazin-2-yl)methyl]-4-methylthiomorpholine is sourced from PubChem (CID 134502278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).