pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone

C20H30N2O3S — CID 4806787

IUPACpyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1C
InChIInChI=1S/C20H30N2O3S/c1-14-13-15(2)17(4)19(16(14)3)26(24,25)22-11-7-18(8-12-22)20(23)21-9-5-6-10-21/h13,18H,5-12H2,1-4H3
InChIKeySNNKTYPRFLTPSW-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.94
Rot. Bonds3

About pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone

pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 4806787) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID4806787
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Namepyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1C
InChIInChI=1S/C20H30N2O3S/c1-14-13-15(2)17(4)19(16(14)3)26(24,25)22-11-7-18(8-12-22)20(23)21-9-5-6-10-21/h13,18H,5-12H2,1-4H3
InChIKeySNNKTYPRFLTPSW-UHFFFAOYSA-N
XLogP2.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4,5-Trimethyl-benzenesulfonyl)-piperidine-4-carboxylic acid amide
CID 3152853
N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 4791129
2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6466704
(3,5-Dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17461622
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 24819910
Cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2635741
Pyrrolidin-1-yl{1-[(2,4,6-trimethylphenyl)sulfonyl]piperidin-3-yl}methanone
CID 6461436
2,3,5,6-tetramethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 852267
Azocan-1-yl-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24687334
2-[2-[4-(2,5-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 25162427
(4-Methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 40726998
1-(2,3,4-Trimethyl-benzenesulfonyl)-piperidine-4-carboxylic acid amide
CID 975257

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone (CID 4806787) is pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c1C.
What is the InChIKey of pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is SNNKTYPRFLTPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-14-13-15(2)17(4)19(16(14)3)26(24,25)22-11-7-18(8-12-22)20(23)21-9-5-6-10-21/h13,18H,5-12H2,1-4H3.
What are the key properties of pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 378.54 g/mol, XLogP of 2.94, 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-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 4806787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).