4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one

C13H22N2O2S — CID 71918517

IUPAC4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one
SMILESCC(C)C1CN(C(=O)C2CCNC(=O)C2)CCS1
InChIInChI=1S/C13H22N2O2S/c1-9(2)11-8-15(5-6-18-11)13(17)10-3-4-14-12(16)7-10/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyAUJFVLCRGCZBBJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.11
Rot. Bonds2

About 4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one

4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one (PubChem CID 71918517) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one
PubChem CID71918517
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one
SMILESCC(C)C1CN(C(=O)C2CCNC(=O)C2)CCS1
InChIInChI=1S/C13H22N2O2S/c1-9(2)11-8-15(5-6-18-11)13(17)10-3-4-14-12(16)7-10/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyAUJFVLCRGCZBBJ-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-4-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
CID 119342685
morpholin-3-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
CID 119817036
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride
CID 119342676
2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119342682
4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one
CID 136514886
4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one
CID 94915607
1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 81456758
4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one
CID 120572888
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one
CID 110682116
2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 120594140
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-2-one
CID 170502297
(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of 4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one (CID 71918517) is 4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for 4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for 4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one is CC(C)C1CN(C(=O)C2CCNC(=O)C2)CCS1.
What is the InChIKey of 4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one?
The InChIKey is AUJFVLCRGCZBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)11-8-15(5-6-18-11)13(17)10-3-4-14-12(16)7-10/h9-11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one?
4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one has a molecular weight of 270.40 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylthiomorpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 71918517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).