3-ethyl-2-methylthiomorpholine-4-carboxamide

C8H16N2OS — CID 12517889

IUPAC3-ethyl-2-methylthiomorpholine-4-carboxamide
SMILESCCC1C(C)SCCN1C(N)=O
InChIInChI=1S/C8H16N2OS/c1-3-7-6(2)12-5-4-10(7)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)
InChIKeyPDMOIHMTODJISX-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.28
Rot. Bonds1

About 3-ethyl-2-methylthiomorpholine-4-carboxamide

3-ethyl-2-methylthiomorpholine-4-carboxamide (PubChem CID 12517889) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-ethyl-2-methylthiomorpholine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-methylthiomorpholine-4-carboxamide
PubChem CID12517889
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name3-ethyl-2-methylthiomorpholine-4-carboxamide
SMILESCCC1C(C)SCCN1C(N)=O
InChIInChI=1S/C8H16N2OS/c1-3-7-6(2)12-5-4-10(7)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)
InChIKeyPDMOIHMTODJISX-UHFFFAOYSA-N
XLogP1.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylthiomorpholine-4-carboxamide?
The IUPAC name of 3-ethyl-2-methylthiomorpholine-4-carboxamide (CID 12517889) is 3-ethyl-2-methylthiomorpholine-4-carboxamide.
What is the SMILES notation for 3-ethyl-2-methylthiomorpholine-4-carboxamide?
The canonical SMILES for 3-ethyl-2-methylthiomorpholine-4-carboxamide is CCC1C(C)SCCN1C(N)=O.
What is the InChIKey of 3-ethyl-2-methylthiomorpholine-4-carboxamide?
The InChIKey is PDMOIHMTODJISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-3-7-6(2)12-5-4-10(7)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of 3-ethyl-2-methylthiomorpholine-4-carboxamide?
3-ethyl-2-methylthiomorpholine-4-carboxamide has a molecular weight of 188.30 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylthiomorpholine-4-carboxamide is sourced from PubChem (CID 12517889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).