2-methylsulfonyl-1-morpholin-4-ylethanone

C7H13NO4S — CID 60768378

IUPAC2-methylsulfonyl-1-morpholin-4-ylethanone
SMILESCS(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C7H13NO4S/c1-13(10,11)6-7(9)8-2-4-12-5-3-8/h2-6H2,1H3
InChIKeyABLSXQHBTWIZQU-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.11
Rot. Bonds2

About 2-methylsulfonyl-1-morpholin-4-ylethanone

2-methylsulfonyl-1-morpholin-4-ylethanone (PubChem CID 60768378) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-methylsulfonyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-methylsulfonyl-1-morpholin-4-ylethanone
PubChem CID60768378
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-methylsulfonyl-1-morpholin-4-ylethanone
SMILESCS(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C7H13NO4S/c1-13(10,11)6-7(9)8-2-4-12-5-3-8/h2-6H2,1H3
InChIKeyABLSXQHBTWIZQU-UHFFFAOYSA-N
XLogP-1.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-methylsulfonyl-1-morpholin-4-ylethanone (CID 60768378) is 2-methylsulfonyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-methylsulfonyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-methylsulfonyl-1-morpholin-4-ylethanone is CS(=O)(=O)CC(=O)N1CCOCC1.
What is the InChIKey of 2-methylsulfonyl-1-morpholin-4-ylethanone?
The InChIKey is ABLSXQHBTWIZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-13(10,11)6-7(9)8-2-4-12-5-3-8/h2-6H2,1H3.
What are the key properties of 2-methylsulfonyl-1-morpholin-4-ylethanone?
2-methylsulfonyl-1-morpholin-4-ylethanone has a molecular weight of 207.25 g/mol, XLogP of -1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 60768378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).