3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine

C14H19NO2S — CID 113451582

IUPAC3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine
SMILESO=S(CC1CNC1)CC1CCOc2ccccc21
InChIInChI=1S/C14H19NO2S/c16-18(9-11-7-15-8-11)10-12-5-6-17-14-4-2-1-3-13(12)14/h1-4,11-12,15H,5-10H2
InChIKeyFZCKGKWLNWCAPW-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.52
Rot. Bonds4

About 3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine

3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine (PubChem CID 113451582) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine
PubChem CID113451582
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine
SMILESO=S(CC1CNC1)CC1CCOc2ccccc21
InChIInChI=1S/C14H19NO2S/c16-18(9-11-7-15-8-11)10-12-5-6-17-14-4-2-1-3-13(12)14/h1-4,11-12,15H,5-10H2
InChIKeyFZCKGKWLNWCAPW-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene
CID 104771979
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one
CID 114451510
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
CID 116548013
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine
CID 81197467

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine (CID 113451582) is 3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine is O=S(CC1CNC1)CC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine?
The InChIKey is FZCKGKWLNWCAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-18(9-11-7-15-8-11)10-12-5-6-17-14-4-2-1-3-13(12)14/h1-4,11-12,15H,5-10H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine?
3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine has a molecular weight of 265.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine is sourced from PubChem (CID 113451582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).