[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone

C11H20N2OS — CID 120620099

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCSCC2)CCN1
InChIInChI=1S/C11H20N2OS/c1-9-8-10(2-3-12-9)11(14)13-4-6-15-7-5-13/h9-10,12H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyCDEXSJUZUPWGNL-UWVGGRQHSA-N
MW228.36 g/mol
LogP0.95
Rot. Bonds1

About [(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone

[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 120620099) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID120620099
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCSCC2)CCN1
InChIInChI=1S/C11H20N2OS/c1-9-8-10(2-3-12-9)11(14)13-4-6-15-7-5-13/h9-10,12H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyCDEXSJUZUPWGNL-UWVGGRQHSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634101
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea
CID 120625762
1-(2-methylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 106740000
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 120617558
3-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63782956
(2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634084
[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 120622918
2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120635729

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 120620099) is [(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone is C[C@H]1C[C@@H](C(=O)N2CCSCC2)CCN1.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is CDEXSJUZUPWGNL-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9-8-10(2-3-12-9)11(14)13-4-6-15-7-5-13/h9-10,12H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone?
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 228.36 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 120620099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).