4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

C12H22N2O3S — CID 53383072

IUPAC4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCOCCN1C(=O)CSCC1(C)C(=O)NC(C)C
InChIInChI=1S/C12H22N2O3S/c1-9(2)13-11(16)12(3)8-18-7-10(15)14(12)5-6-17-4/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyMJRFWFRDTPZAAZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.49
Rot. Bonds5

About 4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (PubChem CID 53383072) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
PubChem CID53383072
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCOCCN1C(=O)CSCC1(C)C(=O)NC(C)C
InChIInChI=1S/C12H22N2O3S/c1-9(2)13-11(16)12(3)8-18-7-10(15)14(12)5-6-17-4/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyMJRFWFRDTPZAAZ-UHFFFAOYSA-N
XLogP0.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (CID 53383072) is 4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is COCCN1C(=O)CSCC1(C)C(=O)NC(C)C.
What is the InChIKey of 4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The InChIKey is MJRFWFRDTPZAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9(2)13-11(16)12(3)8-18-7-10(15)14(12)5-6-17-4/h9H,5-8H2,1-4H3,(H,13,16).
What are the key properties of 4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is sourced from PubChem (CID 53383072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).