4-(benzenesulfinyl)morpholine

C10H13NO2S — CID 12002995

IUPAC4-(benzenesulfinyl)morpholine
SMILESO=S(c1ccccc1)N1CCOCC1
InChIInChI=1S/C10H13NO2S/c12-14(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-5H,6-9H2
InChIKeyFRAOEVPMHPMAGS-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.04
Rot. Bonds2

About 4-(benzenesulfinyl)morpholine

4-(benzenesulfinyl)morpholine (PubChem CID 12002995) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-(benzenesulfinyl)morpholine.

Molecular Properties

Compound Name4-(benzenesulfinyl)morpholine
PubChem CID12002995
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4-(benzenesulfinyl)morpholine
SMILESO=S(c1ccccc1)N1CCOCC1
InChIInChI=1S/C10H13NO2S/c12-14(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-5H,6-9H2
InChIKeyFRAOEVPMHPMAGS-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfinyl)morpholine?
The IUPAC name of 4-(benzenesulfinyl)morpholine (CID 12002995) is 4-(benzenesulfinyl)morpholine.
What is the SMILES notation for 4-(benzenesulfinyl)morpholine?
The canonical SMILES for 4-(benzenesulfinyl)morpholine is O=S(c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-(benzenesulfinyl)morpholine?
The InChIKey is FRAOEVPMHPMAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-14(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-5H,6-9H2.
What are the key properties of 4-(benzenesulfinyl)morpholine?
4-(benzenesulfinyl)morpholine has a molecular weight of 211.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfinyl)morpholine is sourced from PubChem (CID 12002995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).