N-ethoxy-3-methylthiomorpholine-4-carboxamide

C8H16N2O2S — CID 130629111

IUPACN-ethoxy-3-methylthiomorpholine-4-carboxamide
SMILESCCONC(=O)N1CCSCC1C
InChIInChI=1S/C8H16N2O2S/c1-3-12-9-8(11)10-4-5-13-6-7(10)2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyLRLJHABRNCEAKF-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.08
Rot. Bonds2

About N-ethoxy-3-methylthiomorpholine-4-carboxamide

N-ethoxy-3-methylthiomorpholine-4-carboxamide (PubChem CID 130629111) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-ethoxy-3-methylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-3-methylthiomorpholine-4-carboxamide
PubChem CID130629111
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-ethoxy-3-methylthiomorpholine-4-carboxamide
SMILESCCONC(=O)N1CCSCC1C
InChIInChI=1S/C8H16N2O2S/c1-3-12-9-8(11)10-4-5-13-6-7(10)2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyLRLJHABRNCEAKF-UHFFFAOYSA-N
XLogP1.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-ethoxy-3-methylthiomorpholine-4-carboxamide?
The IUPAC name of N-ethoxy-3-methylthiomorpholine-4-carboxamide (CID 130629111) is N-ethoxy-3-methylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-ethoxy-3-methylthiomorpholine-4-carboxamide?
The canonical SMILES for N-ethoxy-3-methylthiomorpholine-4-carboxamide is CCONC(=O)N1CCSCC1C.
What is the InChIKey of N-ethoxy-3-methylthiomorpholine-4-carboxamide?
The InChIKey is LRLJHABRNCEAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-12-9-8(11)10-4-5-13-6-7(10)2/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-ethoxy-3-methylthiomorpholine-4-carboxamide?
N-ethoxy-3-methylthiomorpholine-4-carboxamide has a molecular weight of 204.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-methylthiomorpholine-4-carboxamide is sourced from PubChem (CID 130629111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).