4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine

C11H17NOS — CID 6624677

IUPAC4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine
SMILESCc1scc(CN2CCOCC2)c1C
InChIInChI=1S/C11H17NOS/c1-9-10(2)14-8-11(9)7-12-3-5-13-6-4-12/h8H,3-7H2,1-2H3
InChIKeyPSLJSGGZQUYOJC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.20
Rot. Bonds2

About 4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine

4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine (PubChem CID 6624677) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine
PubChem CID6624677
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine
SMILESCc1scc(CN2CCOCC2)c1C
InChIInChI=1S/C11H17NOS/c1-9-10(2)14-8-11(9)7-12-3-5-13-6-4-12/h8H,3-7H2,1-2H3
InChIKeyPSLJSGGZQUYOJC-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine?
The IUPAC name of 4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine (CID 6624677) is 4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine is Cc1scc(CN2CCOCC2)c1C.
What is the InChIKey of 4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine?
The InChIKey is PSLJSGGZQUYOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-10(2)14-8-11(9)7-12-3-5-13-6-4-12/h8H,3-7H2,1-2H3.
What are the key properties of 4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine?
4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine has a molecular weight of 211.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethylthiophen-3-yl)methyl]morpholine is sourced from PubChem (CID 6624677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).