3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine

C11H17NS2 — CID 66227958

IUPAC3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine
SMILESCCC1CSCC(c2ccc(C)s2)N1
InChIInChI=1S/C11H17NS2/c1-3-9-6-13-7-10(12-9)11-5-4-8(2)14-11/h4-5,9-10,12H,3,6-7H2,1-2H3
InChIKeySQJSWUSCJBBBGZ-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.21
Rot. Bonds2

About 3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine

3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine (PubChem CID 66227958) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine.

Molecular Properties

Compound Name3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine
PubChem CID66227958
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine
SMILESCCC1CSCC(c2ccc(C)s2)N1
InChIInChI=1S/C11H17NS2/c1-3-9-6-13-7-10(12-9)11-5-4-8(2)14-11/h4-5,9-10,12H,3,6-7H2,1-2H3
InChIKeySQJSWUSCJBBBGZ-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine?
The IUPAC name of 3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine (CID 66227958) is 3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine.
What is the SMILES notation for 3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine?
The canonical SMILES for 3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine is CCC1CSCC(c2ccc(C)s2)N1.
What is the InChIKey of 3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine?
The InChIKey is SQJSWUSCJBBBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-3-9-6-13-7-10(12-9)11-5-4-8(2)14-11/h4-5,9-10,12H,3,6-7H2,1-2H3.
What are the key properties of 3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine?
3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine has a molecular weight of 227.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(5-methylthiophen-2-yl)thiomorpholine is sourced from PubChem (CID 66227958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).