N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C17H26N2O3S — CID 49065611

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)16(20)18-13-14-9-11-19(12-10-14)23(21,22)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,18,20)
InChIKeyOUWXOGGNLFWDEK-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.25
Rot. Bonds4

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 49065611) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID49065611
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)16(20)18-13-14-9-11-19(12-10-14)23(21,22)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,18,20)
InChIKeyOUWXOGGNLFWDEK-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 49065611) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is OUWXOGGNLFWDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,3)16(20)18-13-14-9-11-19(12-10-14)23(21,22)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,18,20).
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 338.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 49065611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).