2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine

C11H19N3OS — CID 86818632

IUPAC2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine
SMILESCC1CN(CCSc2nccn2C)CCO1
InChIInChI=1S/C11H19N3OS/c1-10-9-14(5-7-15-10)6-8-16-11-12-3-4-13(11)2/h3-4,10H,5-9H2,1-2H3
InChIKeyWGIVQCNKCXETIF-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.23
Rot. Bonds4

About 2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine

2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine (PubChem CID 86818632) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine
PubChem CID86818632
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine
SMILESCC1CN(CCSc2nccn2C)CCO1
InChIInChI=1S/C11H19N3OS/c1-10-9-14(5-7-15-10)6-8-16-11-12-3-4-13(11)2/h3-4,10H,5-9H2,1-2H3
InChIKeyWGIVQCNKCXETIF-UHFFFAOYSA-N
XLogP1.23
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine?
The IUPAC name of 2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine (CID 86818632) is 2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine.
What is the SMILES notation for 2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine?
The canonical SMILES for 2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine is CC1CN(CCSc2nccn2C)CCO1.
What is the InChIKey of 2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine?
The InChIKey is WGIVQCNKCXETIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-10-9-14(5-7-15-10)6-8-16-11-12-3-4-13(11)2/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine?
2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine has a molecular weight of 241.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine is sourced from PubChem (CID 86818632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).