N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

C18H28N2O3S — CID 3518998

IUPACN-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C18H28N2O3S/c1-5-8-19-18(21)16-7-6-9-20(12-16)24(22,23)17-14(3)10-13(2)11-15(17)4/h10-11,16H,5-9,12H2,1-4H3,(H,19,21)
InChIKeyWDSWAXGWBMAEML-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.54
Rot. Bonds5

About N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3518998) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3518998
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C18H28N2O3S/c1-5-8-19-18(21)16-7-6-9-20(12-16)24(22,23)17-14(3)10-13(2)11-15(17)4/h10-11,16H,5-9,12H2,1-4H3,(H,19,21)
InChIKeyWDSWAXGWBMAEML-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7441892
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 94381355
N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 4215035
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152
ethyl (3S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxylate
CID 7299644
(3S)-N-(1-methylpiperidin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 99967793
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
(3R)-N-(pyridin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7379275
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 133254995
N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3428690
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide (CID 3518998) is N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1.
What is the InChIKey of N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is WDSWAXGWBMAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-5-8-19-18(21)16-7-6-9-20(12-16)24(22,23)17-14(3)10-13(2)11-15(17)4/h10-11,16H,5-9,12H2,1-4H3,(H,19,21).
What are the key properties of N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3518998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).