3-(azetidin-3-ylmethylsulfinylmethyl)benzamide

C12H16N2O2S — CID 81197896

IUPAC3-(azetidin-3-ylmethylsulfinylmethyl)benzamide
SMILESNC(=O)c1cccc(CS(=O)CC2CNC2)c1
InChIInChI=1S/C12H16N2O2S/c13-12(15)11-3-1-2-9(4-11)7-17(16)8-10-5-14-6-10/h1-4,10,14H,5-8H2,(H2,13,15)
InChIKeyBDHKQIBDCAFTBM-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.25
Rot. Bonds5

About 3-(azetidin-3-ylmethylsulfinylmethyl)benzamide

3-(azetidin-3-ylmethylsulfinylmethyl)benzamide (PubChem CID 81197896) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethylsulfinylmethyl)benzamide.

Molecular Properties

Compound Name3-(azetidin-3-ylmethylsulfinylmethyl)benzamide
PubChem CID81197896
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-(azetidin-3-ylmethylsulfinylmethyl)benzamide
SMILESNC(=O)c1cccc(CS(=O)CC2CNC2)c1
InChIInChI=1S/C12H16N2O2S/c13-12(15)11-3-1-2-9(4-11)7-17(16)8-10-5-14-6-10/h1-4,10,14H,5-8H2,(H2,13,15)
InChIKeyBDHKQIBDCAFTBM-UHFFFAOYSA-N
XLogP0.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride
CID 120961894
3-[(3-chloro-4-fluorophenyl)methylsulfinylmethyl]azetidine
CID 103042423
3-[[2-(azetidin-3-yl)acetyl]amino]benzamide
CID 64612243
3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine
CID 107889691
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
3-[[(S)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfinyl]methyl]benzamide
CID 97011037
3-(piperidin-3-ylmethoxymethyl)benzamide
CID 62340748
5-(azetidin-3-ylmethylsulfinylmethyl)-2-methoxybenzonitrile
CID 81196115
(2R)-2-acetamido-3-[(3-carbamoylphenyl)methylsulfinyl]propanoic acid
CID 107775553
3-[(4-amino-2-bromophenyl)sulfinylmethyl]benzamide
CID 82834295
3-(sulfanylmethyl)benzamide
CID 118350806
3-[(carbamoylamino)methyl]benzamide
CID 166184789

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethylsulfinylmethyl)benzamide?
The IUPAC name of 3-(azetidin-3-ylmethylsulfinylmethyl)benzamide (CID 81197896) is 3-(azetidin-3-ylmethylsulfinylmethyl)benzamide.
What is the SMILES notation for 3-(azetidin-3-ylmethylsulfinylmethyl)benzamide?
The canonical SMILES for 3-(azetidin-3-ylmethylsulfinylmethyl)benzamide is NC(=O)c1cccc(CS(=O)CC2CNC2)c1.
What is the InChIKey of 3-(azetidin-3-ylmethylsulfinylmethyl)benzamide?
The InChIKey is BDHKQIBDCAFTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c13-12(15)11-3-1-2-9(4-11)7-17(16)8-10-5-14-6-10/h1-4,10,14H,5-8H2,(H2,13,15).
What are the key properties of 3-(azetidin-3-ylmethylsulfinylmethyl)benzamide?
3-(azetidin-3-ylmethylsulfinylmethyl)benzamide has a molecular weight of 252.34 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethylsulfinylmethyl)benzamide is sourced from PubChem (CID 81197896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).