2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone

C10H15N3O2S — CID 4102746

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCn1ccnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C10H15N3O2S/c1-12-3-2-11-10(12)16-8-9(14)13-4-6-15-7-5-13/h2-3H,4-8H2,1H3
InChIKeyAPBYXVWWXTZNKX-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.37
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone

2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 4102746) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID4102746
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCn1ccnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C10H15N3O2S/c1-12-3-2-11-10(12)16-8-9(14)13-4-6-15-7-5-13/h2-3H,4-8H2,1H3
InChIKeyAPBYXVWWXTZNKX-UHFFFAOYSA-N
XLogP0.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone (CID 4102746) is 2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone is Cn1ccnc1SCC(=O)N1CCOCC1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is APBYXVWWXTZNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-12-3-2-11-10(12)16-8-9(14)13-4-6-15-7-5-13/h2-3H,4-8H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 241.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 4102746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).