N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide

C17H26N2O3S — CID 648235

IUPACN-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCc1ccc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C17H26N2O3S/c1-13-8-9-16(12-14(13)2)19(23(4,21)22)15(3)17(20)18-10-6-5-7-11-18/h8-9,12,15H,5-7,10-11H2,1-4H3
InChIKeyKHTNWARSBCKRJN-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.47
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide

N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide (PubChem CID 648235) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide
PubChem CID648235
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCc1ccc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C17H26N2O3S/c1-13-8-9-16(12-14(13)2)19(23(4,21)22)15(3)17(20)18-10-6-5-7-11-18/h8-9,12,15H,5-7,10-11H2,1-4H3
InChIKeyKHTNWARSBCKRJN-UHFFFAOYSA-N
XLogP2.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide (CID 648235) is N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide is Cc1ccc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide?
The InChIKey is KHTNWARSBCKRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-8-9-16(12-14(13)2)19(23(4,21)22)15(3)17(20)18-10-6-5-7-11-18/h8-9,12,15H,5-7,10-11H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide?
N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 648235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).