1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid

C14H24N2O3S — CID 106744572

IUPAC1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1SCCN(C(=O)N2CCC(C(=O)O)CC2C)C1C
InChIInChI=1S/C14H24N2O3S/c1-9-8-12(13(17)18)4-5-15(9)14(19)16-6-7-20-11(3)10(16)2/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyAWVYRAMBQVFDBI-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.12
Rot. Bonds1

About 1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744572) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106744572
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1SCCN(C(=O)N2CCC(C(=O)O)CC2C)C1C
InChIInChI=1S/C14H24N2O3S/c1-9-8-12(13(17)18)4-5-15(9)14(19)16-6-7-20-11(3)10(16)2/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyAWVYRAMBQVFDBI-UHFFFAOYSA-N
XLogP2.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 71930717
1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743936
1-(2,2-difluoroacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742109
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743978
1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743942
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
(2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634084
3-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-oxopropanoic acid
CID 114899062
1-butanoyl-2-methylpiperidine-4-carboxylic acid
CID 106741752
2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744253
1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744628

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106744572) is 1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid is CC1SCCN(C(=O)N2CCC(C(=O)O)CC2C)C1C.
What is the InChIKey of 1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is AWVYRAMBQVFDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-9-8-12(13(17)18)4-5-15(9)14(19)16-6-7-20-11(3)10(16)2/h9-12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).