methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate

C14H18N2O3S — CID 4798571

IUPACmethyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Nc2ccc(C)cc2)CCS1
InChIInChI=1S/C14H18N2O3S/c1-10-3-5-11(6-4-10)15-14(18)16-7-8-20-12(9-16)13(17)19-2/h3-6,12H,7-9H2,1-2H3,(H,15,18)
InChIKeyGOOBYNYREGNZBR-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.12
Rot. Bonds2

About methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate

methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate (PubChem CID 4798571) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate
PubChem CID4798571
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namemethyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Nc2ccc(C)cc2)CCS1
InChIInChI=1S/C14H18N2O3S/c1-10-3-5-11(6-4-10)15-14(18)16-7-8-20-12(9-16)13(17)19-2/h3-6,12H,7-9H2,1-2H3,(H,15,18)
InChIKeyGOOBYNYREGNZBR-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
methyl (2S)-4-(2,5-dimethylphenyl)sulfonylthiomorpholine-2-carboxylate
CID 8778104
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
methyl (2S)-4-[2-(2,3,4-trimethoxyphenyl)acetyl]thiomorpholine-2-carboxylate
CID 9084244
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46027343
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
N-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 47087366
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate?
The IUPAC name of methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate (CID 4798571) is methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate is COC(=O)C1CN(C(=O)Nc2ccc(C)cc2)CCS1.
What is the InChIKey of methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate?
The InChIKey is GOOBYNYREGNZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-3-5-11(6-4-10)15-14(18)16-7-8-20-12(9-16)13(17)19-2/h3-6,12H,7-9H2,1-2H3,(H,15,18).
What are the key properties of methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate?
methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methylphenyl)carbamoyl]thiomorpholine-2-carboxylate is sourced from PubChem (CID 4798571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).