(3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide

C12H16N2O4S — CID 97040893

IUPAC(3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESCON(C)C(=O)[C@@H]1COCC(=O)N1Cc1cccs1
InChIInChI=1S/C12H16N2O4S/c1-13(17-2)12(16)10-7-18-8-11(15)14(10)6-9-4-3-5-19-9/h3-5,10H,6-8H2,1-2H3/t10-/m0/s1
InChIKeyOKIHHSBFFHFNHR-JTQLQIEISA-N
MW284.34 g/mol
LogP0.50
Rot. Bonds4

About (3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide

(3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (PubChem CID 97040893) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is (3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
PubChem CID97040893
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name(3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESCON(C)C(=O)[C@@H]1COCC(=O)N1Cc1cccs1
InChIInChI=1S/C12H16N2O4S/c1-13(17-2)12(16)10-7-18-8-11(15)14(10)6-9-4-3-5-19-9/h3-5,10H,6-8H2,1-2H3/t10-/m0/s1
InChIKeyOKIHHSBFFHFNHR-JTQLQIEISA-N
XLogP0.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The IUPAC name of (3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (CID 97040893) is (3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide is CON(C)C(=O)[C@@H]1COCC(=O)N1Cc1cccs1.
What is the InChIKey of (3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The InChIKey is OKIHHSBFFHFNHR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-13(17-2)12(16)10-7-18-8-11(15)14(10)6-9-4-3-5-19-9/h3-5,10H,6-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
(3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methoxy-N-methyl-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide is sourced from PubChem (CID 97040893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).