N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide

C18H28N2O3S — CID 102579149

IUPACN-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CN(S(=O)(=O)c2ccc(C)cc2)CC(C)(C)C1
InChIInChI=1S/C18H28N2O3S/c1-5-6-17(21)19-15-11-18(3,4)13-20(12-15)24(22,23)16-9-7-14(2)8-10-16/h7-10,15H,5-6,11-13H2,1-4H3,(H,19,21)
InChIKeyRJDUWMNVCKWUHH-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.70
Rot. Bonds5

About N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide

N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide (PubChem CID 102579149) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide
PubChem CID102579149
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CN(S(=O)(=O)c2ccc(C)cc2)CC(C)(C)C1
InChIInChI=1S/C18H28N2O3S/c1-5-6-17(21)19-15-11-18(3,4)13-20(12-15)24(22,23)16-9-7-14(2)8-10-16/h7-10,15H,5-6,11-13H2,1-4H3,(H,19,21)
InChIKeyRJDUWMNVCKWUHH-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 52950936
5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 135054158
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559969
(4S,5R)-5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 98106436
4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 119699481
benzyl N-[2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptan-6-yl]carbamate
CID 129319543
N-(benzenesulfonyl)-N-[(3R)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]benzenesulfonamide
CID 162399997
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 11983814
1-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.1]heptan-6-one
CID 21310580
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108560467

Frequently Asked Questions

What is the IUPAC name of N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide?
The IUPAC name of N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide (CID 102579149) is N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide.
What is the SMILES notation for N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide?
The canonical SMILES for N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide is CCCC(=O)NC1CN(S(=O)(=O)c2ccc(C)cc2)CC(C)(C)C1.
What is the InChIKey of N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide?
The InChIKey is RJDUWMNVCKWUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-5-6-17(21)19-15-11-18(3,4)13-20(12-15)24(22,23)16-9-7-14(2)8-10-16/h7-10,15H,5-6,11-13H2,1-4H3,(H,19,21).
What are the key properties of N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide?
N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide has a molecular weight of 352.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide is sourced from PubChem (CID 102579149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).