4-(1-benzofuran-2-ylsulfinyl)morpholine

C12H13NO3S — CID 132571738

IUPAC4-(1-benzofuran-2-ylsulfinyl)morpholine
SMILESO=S(c1cc2ccccc2o1)N1CCOCC1
InChIInChI=1S/C12H13NO3S/c14-17(13-5-7-15-8-6-13)12-9-10-3-1-2-4-11(10)16-12/h1-4,9H,5-8H2
InChIKeyRXSYIVQBCZQEAE-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.79
Rot. Bonds2

About 4-(1-benzofuran-2-ylsulfinyl)morpholine

4-(1-benzofuran-2-ylsulfinyl)morpholine (PubChem CID 132571738) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-(1-benzofuran-2-ylsulfinyl)morpholine.

Molecular Properties

Compound Name4-(1-benzofuran-2-ylsulfinyl)morpholine
PubChem CID132571738
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name4-(1-benzofuran-2-ylsulfinyl)morpholine
SMILESO=S(c1cc2ccccc2o1)N1CCOCC1
InChIInChI=1S/C12H13NO3S/c14-17(13-5-7-15-8-6-13)12-9-10-3-1-2-4-11(10)16-12/h1-4,9H,5-8H2
InChIKeyRXSYIVQBCZQEAE-UHFFFAOYSA-N
XLogP1.79
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzofuran-2-Sulfonamide
CID 10750432
1-(1-Benzofuran-2-ylsulfonyl)-4-ethyl-1,4-diazepane
CID 71858318
4-(Dibenzo[b,d]furan-2-ylsulfonyl)morpholine
CID 559412
N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide
CID 2295500
4-Dibenzofuran-3-ylsulfonylmorpholine
CID 2926916
1-(1-Benzofuran-2-ylsulfonyl)pyrrolidine
CID 71973607
4-(1-Benzofuran-2-sulfonyl)morpholine
CID 75494903
Cambridge id 7050765
CID 2925137
2-Methylbenzofur-3-ylphosphonous acid dimorpholide
CID 14942703
3-Benzofuransulfonamide
CID 67273585
CID 46925907
CID 46925907
5-(1-Benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane
CID 128574553

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-ylsulfinyl)morpholine?
The IUPAC name of 4-(1-benzofuran-2-ylsulfinyl)morpholine (CID 132571738) is 4-(1-benzofuran-2-ylsulfinyl)morpholine.
What is the SMILES notation for 4-(1-benzofuran-2-ylsulfinyl)morpholine?
The canonical SMILES for 4-(1-benzofuran-2-ylsulfinyl)morpholine is O=S(c1cc2ccccc2o1)N1CCOCC1.
What is the InChIKey of 4-(1-benzofuran-2-ylsulfinyl)morpholine?
The InChIKey is RXSYIVQBCZQEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c14-17(13-5-7-15-8-6-13)12-9-10-3-1-2-4-11(10)16-12/h1-4,9H,5-8H2.
What are the key properties of 4-(1-benzofuran-2-ylsulfinyl)morpholine?
4-(1-benzofuran-2-ylsulfinyl)morpholine has a molecular weight of 251.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-ylsulfinyl)morpholine is sourced from PubChem (CID 132571738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).