3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine

C13H17NO3S — CID 81197467

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CC1CNC1)CC1COc2ccccc21
InChIInChI=1S/C13H17NO3S/c15-18(16,8-10-5-14-6-10)9-11-7-17-13-4-2-1-3-12(11)13/h1-4,10-11,14H,5-9H2
InChIKeyIZNKFSVWQGGYPM-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.80
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine

3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine (PubChem CID 81197467) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine
PubChem CID81197467
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CC1CNC1)CC1COc2ccccc21
InChIInChI=1S/C13H17NO3S/c15-18(16,8-10-5-14-6-10)9-11-7-17-13-4-2-1-3-12(11)13/h1-4,10-11,14H,5-9H2
InChIKeyIZNKFSVWQGGYPM-UHFFFAOYSA-N
XLogP0.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran
CID 79230016
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)cyclopropyl]acetic acid
CID 79218927
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonyl)propanoic acid
CID 79229941
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638708
3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine
CID 113451582
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
CID 82756095
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)cyclohexan-1-amine
CID 79230039
2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate
CID 15732877

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine (CID 81197467) is 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine is O=S(=O)(CC1CNC1)CC1COc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine?
The InChIKey is IZNKFSVWQGGYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-18(16,8-10-5-14-6-10)9-11-7-17-13-4-2-1-3-12(11)13/h1-4,10-11,14H,5-9H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine?
3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine has a molecular weight of 267.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine is sourced from PubChem (CID 81197467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).