(3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one

C16H21N3O2S — CID 95096804

IUPAC(3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESC[C@H]1CCCN(C(=O)C[C@@H]2Sc3ncccc3N(C)C2=O)C1
InChIInChI=1S/C16H21N3O2S/c1-11-5-4-8-19(10-11)14(20)9-13-16(21)18(2)12-6-3-7-17-15(12)22-13/h3,6-7,11,13H,4-5,8-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyVUEYEYHNUMGGMW-AAEUAGOBSA-N
MW319.43 g/mol
LogP2.17
Rot. Bonds2

About (3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one

(3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 95096804) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID95096804
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESC[C@H]1CCCN(C(=O)C[C@@H]2Sc3ncccc3N(C)C2=O)C1
InChIInChI=1S/C16H21N3O2S/c1-11-5-4-8-19(10-11)14(20)9-13-16(21)18(2)12-6-3-7-17-15(12)22-13/h3,6-7,11,13H,4-5,8-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyVUEYEYHNUMGGMW-AAEUAGOBSA-N
XLogP2.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,4]thiazin-2-one
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CID 53148581
2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096732
(5R)-3-methyl-5-[2-oxo-2-[(3S)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 92607674
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839530
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
6-chloro-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 17393034
(2R)-6-chloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 25388740
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 23860033
1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 20890056
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of (3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one (CID 95096804) is (3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for (3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one is C[C@H]1CCCN(C(=O)C[C@@H]2Sc3ncccc3N(C)C2=O)C1.
What is the InChIKey of (3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is VUEYEYHNUMGGMW-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-5-4-8-19(10-11)14(20)9-13-16(21)18(2)12-6-3-7-17-15(12)22-13/h3,6-7,11,13H,4-5,8-10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
(3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 319.43 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 95096804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).