ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate

C14H24N2O3S — CID 114423337

IUPACethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)C1CC(C)CCN1
InChIInChI=1S/C14H24N2O3S/c1-3-19-14(18)12-9-20-7-6-16(12)13(17)11-8-10(2)4-5-15-11/h10-12,15H,3-9H2,1-2H3
InChIKeyAMKVHRAEFQLBPP-UHFFFAOYSA-N
MW300.42 g/mol
LogP0.88
Rot. Bonds3

About ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate

ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate (PubChem CID 114423337) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate
PubChem CID114423337
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Nameethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)C1CC(C)CCN1
InChIInChI=1S/C14H24N2O3S/c1-3-19-14(18)12-9-20-7-6-16(12)13(17)11-8-10(2)4-5-15-11/h10-12,15H,3-9H2,1-2H3
InChIKeyAMKVHRAEFQLBPP-UHFFFAOYSA-N
XLogP0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate?
The IUPAC name of ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate (CID 114423337) is ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate is CCOC(=O)C1CSCCN1C(=O)C1CC(C)CCN1.
What is the InChIKey of ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate?
The InChIKey is AMKVHRAEFQLBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-19-14(18)12-9-20-7-6-16(12)13(17)11-8-10(2)4-5-15-11/h10-12,15H,3-9H2,1-2H3.
What are the key properties of ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate?
ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate has a molecular weight of 300.42 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate is sourced from PubChem (CID 114423337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).