2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone

C12H14ClNO2S — CID 1486400

IUPAC2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C12H14ClNO2S/c13-10-3-1-2-4-11(10)17-9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2
InChIKeyLRBNDPILSHJBJK-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.29
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone

2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 1486400) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID1486400
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C12H14ClNO2S/c13-10-3-1-2-4-11(10)17-9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2
InChIKeyLRBNDPILSHJBJK-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone (CID 1486400) is 2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone is O=C(CSc1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is LRBNDPILSHJBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c13-10-3-1-2-4-11(10)17-9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone?
2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 271.77 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 1486400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).