3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide

C13H18N2O2S — CID 57192638

IUPAC3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide
SMILESC[S@@](=O)c1cc(C(N)=O)ccc1C1CCNCC1
InChIInChI=1S/C13H18N2O2S/c1-18(17)12-8-10(13(14)16)2-3-11(12)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H2,14,16)/t18-/m1/s1
InChIKeyVQIGSGGKMFNNTK-GOSISDBHSA-N
MW266.37 g/mol
LogP0.99
Rot. Bonds3

About 3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide

3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide (PubChem CID 57192638) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide
PubChem CID57192638
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide
SMILESC[S@@](=O)c1cc(C(N)=O)ccc1C1CCNCC1
InChIInChI=1S/C13H18N2O2S/c1-18(17)12-8-10(13(14)16)2-3-11(12)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H2,14,16)/t18-/m1/s1
InChIKeyVQIGSGGKMFNNTK-GOSISDBHSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide?
The IUPAC name of 3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide (CID 57192638) is 3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide?
The canonical SMILES for 3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide is C[S@@](=O)c1cc(C(N)=O)ccc1C1CCNCC1.
What is the InChIKey of 3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide?
The InChIKey is VQIGSGGKMFNNTK-GOSISDBHSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-18(17)12-8-10(13(14)16)2-3-11(12)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H2,14,16)/t18-/m1/s1.
What are the key properties of 3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide?
3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide has a molecular weight of 266.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-methylsulfinyl]-4-piperidin-4-ylbenzamide is sourced from PubChem (CID 57192638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).