1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane

C12H14N2O3S — CID 155934059

IUPAC1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1cc2ccccc2o1)N1CCOCC1
InChIInChI=1S/C12H14N2O3S/c13-18(15,14-5-7-16-8-6-14)12-9-10-3-1-2-4-11(10)17-12/h1-4,9,13H,5-8H2
InChIKeyCVKAURJGHPCXCM-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.09
Rot. Bonds2

About 1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane

1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane (PubChem CID 155934059) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane.

Molecular Properties

Compound Name1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane
PubChem CID155934059
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1cc2ccccc2o1)N1CCOCC1
InChIInChI=1S/C12H14N2O3S/c13-18(15,14-5-7-16-8-6-14)12-9-10-3-1-2-4-11(10)17-12/h1-4,9,13H,5-8H2
InChIKeyCVKAURJGHPCXCM-UHFFFAOYSA-N
XLogP2.09
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-[(3S)-1-cycloheptylpiperidin-3-yl]-1-benzofuran-2-sulfonamide
CID 95720730

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane?
The IUPAC name of 1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane (CID 155934059) is 1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane.
What is the SMILES notation for 1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane?
The canonical SMILES for 1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane is [H]N=S(=O)(c1cc2ccccc2o1)N1CCOCC1.
What is the InChIKey of 1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane?
The InChIKey is CVKAURJGHPCXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-18(15,14-5-7-16-8-6-14)12-9-10-3-1-2-4-11(10)17-12/h1-4,9,13H,5-8H2.
What are the key properties of 1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane?
1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane has a molecular weight of 266.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-imino-morpholin-4-yl-oxo-λ6-sulfane is sourced from PubChem (CID 155934059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).