4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid

C14H25N3O3S — CID 106326529

IUPAC4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCN2CCSCC2)CC1
InChIInChI=1S/C14H25N3O3S/c1-14(12(18)19)2-5-17(6-3-14)13(20)15-4-7-16-8-10-21-11-9-16/h2-11H2,1H3,(H,15,20)(H,18,19)
InChIKeyDIEYFRUUEOCHJO-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.93
Rot. Bonds4

About 4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid

4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 106326529) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID106326529
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCN2CCSCC2)CC1
InChIInChI=1S/C14H25N3O3S/c1-14(12(18)19)2-5-17(6-3-14)13(20)15-4-7-16-8-10-21-11-9-16/h2-11H2,1H3,(H,15,20)(H,18,19)
InChIKeyDIEYFRUUEOCHJO-UHFFFAOYSA-N
XLogP0.93
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 83114282
1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63124361
4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106326432
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55176607
4-methyl-1-(prop-2-ynylcarbamoyl)piperidine-4-carboxylic acid
CID 63123476
1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 114173937
1-(hex-5-ynylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 106215938
4-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63123818
1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149485
2,2-dimethyl-3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106305204
1-(3-imidazol-1-ylpropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123353

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid (CID 106326529) is 4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCN2CCSCC2)CC1.
What is the InChIKey of 4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is DIEYFRUUEOCHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-14(12(18)19)2-5-17(6-3-14)13(20)15-4-7-16-8-10-21-11-9-16/h2-11H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid?
4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 315.44 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106326529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).