2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine

C12H24N2S — CID 114421709

IUPAC2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine
SMILESCC1CCNC(CN2CCSC(C)C2)C1
InChIInChI=1S/C12H24N2S/c1-10-3-4-13-12(7-10)9-14-5-6-15-11(2)8-14/h10-13H,3-9H2,1-2H3
InChIKeyUCSSPJPHWUSQIT-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine

2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine (PubChem CID 114421709) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine
PubChem CID114421709
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine
SMILESCC1CCNC(CN2CCSC(C)C2)C1
InChIInChI=1S/C12H24N2S/c1-10-3-4-13-12(7-10)9-14-5-6-15-11(2)8-14/h10-13H,3-9H2,1-2H3
InChIKeyUCSSPJPHWUSQIT-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131185799
2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 103534656
4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
CID 114421488
2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane
CID 114421553
2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 114421617
4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine
CID 114430708
2-ethyl-4-[(2-methylpiperidin-4-yl)methyl]thiomorpholine
CID 106741211
ethane;2-ethyl-4-methylpiperidine
CID 142379207
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine
CID 114421147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine?
The IUPAC name of 2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine (CID 114421709) is 2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine.
What is the SMILES notation for 2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine?
The canonical SMILES for 2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine is CC1CCNC(CN2CCSC(C)C2)C1.
What is the InChIKey of 2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine?
The InChIKey is UCSSPJPHWUSQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-3-4-13-12(7-10)9-14-5-6-15-11(2)8-14/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine?
2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine is sourced from PubChem (CID 114421709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).