3-ethyl-5-(4-methylphenyl)thiomorpholine

C13H19NS — CID 66228430

IUPAC3-ethyl-5-(4-methylphenyl)thiomorpholine
SMILESCCC1CSCC(c2ccc(C)cc2)N1
InChIInChI=1S/C13H19NS/c1-3-12-8-15-9-13(14-12)11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyDCQZHBDIKSKZJC-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.15
Rot. Bonds2

About 3-ethyl-5-(4-methylphenyl)thiomorpholine

3-ethyl-5-(4-methylphenyl)thiomorpholine (PubChem CID 66228430) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-ethyl-5-(4-methylphenyl)thiomorpholine.

Molecular Properties

Compound Name3-ethyl-5-(4-methylphenyl)thiomorpholine
PubChem CID66228430
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name3-ethyl-5-(4-methylphenyl)thiomorpholine
SMILESCCC1CSCC(c2ccc(C)cc2)N1
InChIInChI=1S/C13H19NS/c1-3-12-8-15-9-13(14-12)11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyDCQZHBDIKSKZJC-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-methylphenyl)thiomorpholine?
The IUPAC name of 3-ethyl-5-(4-methylphenyl)thiomorpholine (CID 66228430) is 3-ethyl-5-(4-methylphenyl)thiomorpholine.
What is the SMILES notation for 3-ethyl-5-(4-methylphenyl)thiomorpholine?
The canonical SMILES for 3-ethyl-5-(4-methylphenyl)thiomorpholine is CCC1CSCC(c2ccc(C)cc2)N1.
What is the InChIKey of 3-ethyl-5-(4-methylphenyl)thiomorpholine?
The InChIKey is DCQZHBDIKSKZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-12-8-15-9-13(14-12)11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3.
What are the key properties of 3-ethyl-5-(4-methylphenyl)thiomorpholine?
3-ethyl-5-(4-methylphenyl)thiomorpholine has a molecular weight of 221.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-methylphenyl)thiomorpholine is sourced from PubChem (CID 66228430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).