pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone

C19H28N2O3S — CID 6461436

IUPACpyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)N3CCCC3)C2)c(C)c1
InChIInChI=1S/C19H28N2O3S/c1-14-11-15(2)18(16(3)12-14)25(23,24)21-10-6-7-17(13-21)19(22)20-8-4-5-9-20/h11-12,17H,4-10,13H2,1-3H3
InChIKeyKJQNWPLKLWASBK-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.63
Rot. Bonds3

About pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone

pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone (PubChem CID 6461436) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone
PubChem CID6461436
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Namepyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)N3CCCC3)C2)c(C)c1
InChIInChI=1S/C19H28N2O3S/c1-14-11-15(2)18(16(3)12-14)25(23,24)21-10-6-7-17(13-21)19(22)20-8-4-5-9-20/h11-12,17H,4-10,13H2,1-3H3
InChIKeyKJQNWPLKLWASBK-UHFFFAOYSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4787641
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387
N-(cyclohexylmethyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 30726432
1-[(2,4,6-Trimethylphenyl)sulfonyl]pyrrolidin-2-one
CID 766932
N,2,4,6-tetramethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 969832
N-cyclopentyl-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 1090888
N-cyclohexyl-2,4,6-trimethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide (non-preferred name)
CID 2202990
N-isopentyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 2207161
Ethyl 4-{[1-(mesitylsulfonyl)-3-piperidinyl]carbonyl}-1-piperazinecarboxylate
CID 2989981
1-(2,4,6-Trimethyl-benzenesulfonyl)-piperidine-3-carboxylic acid cyclopentylamide
CID 3152152
[1-(4-Methylphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 4522044

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone (CID 6461436) is pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone is Cc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)N3CCCC3)C2)c(C)c1.
What is the InChIKey of pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is KJQNWPLKLWASBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-14-11-15(2)18(16(3)12-14)25(23,24)21-10-6-7-17(13-21)19(22)20-8-4-5-9-20/h11-12,17H,4-10,13H2,1-3H3.
What are the key properties of pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone?
pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 364.51 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 6461436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).