(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone

C11H20N2O2S — CID 82916453

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1(O)CCN(C(=O)C2CSCCN2)CC1
InChIInChI=1S/C11H20N2O2S/c1-11(15)2-5-13(6-3-11)10(14)9-8-16-7-4-12-9/h9,12,15H,2-8H2,1H3
InChIKeyKCUUJPBRIUKIPR-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.06
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone

(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone (PubChem CID 82916453) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
PubChem CID82916453
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1(O)CCN(C(=O)C2CSCCN2)CC1
InChIInChI=1S/C11H20N2O2S/c1-11(15)2-5-13(6-3-11)10(14)9-8-16-7-4-12-9/h9,12,15H,2-8H2,1H3
InChIKeyKCUUJPBRIUKIPR-UHFFFAOYSA-N
XLogP0.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone
CID 103355836
(7,7-dimethyl-1,4-thiazepan-4-yl)-thiomorpholin-3-ylmethanone
CID 107454657
8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82908979
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114424311
N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82909327
(3,3-dimethylpyrrolidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322655
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone
CID 106313979
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 81103357
[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-thiomorpholin-3-ylmethanone
CID 82909244
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid
CID 82908492

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone (CID 82916453) is (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone is CC1(O)CCN(C(=O)C2CSCCN2)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
The InChIKey is KCUUJPBRIUKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(15)2-5-13(6-3-11)10(14)9-8-16-7-4-12-9/h9,12,15H,2-8H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone?
(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone has a molecular weight of 244.36 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 82916453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).