[1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone

C17H23NO3S — CID 3243009

IUPAC[1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C17H23NO3S/c1-13-5-7-15(8-6-13)22(20,21)17(9-10-17)16(19)18-11-3-4-14(2)12-18/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyYFNWAHJVLIVVNN-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.56
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone

[1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 3243009) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID3243009
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name[1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C17H23NO3S/c1-13-5-7-15(8-6-13)22(20,21)17(9-10-17)16(19)18-11-3-4-14(2)12-18/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyYFNWAHJVLIVVNN-UHFFFAOYSA-N
XLogP2.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone (CID 3243009) is [1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone is Cc1ccc(S(=O)(=O)C2(C(=O)N3CCCC(C)C3)CC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is YFNWAHJVLIVVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-13-5-7-15(8-6-13)22(20,21)17(9-10-17)16(19)18-11-3-4-14(2)12-18/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of [1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone?
[1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 321.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3243009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).