2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide

C17H33N3O3S — CID 49123019

IUPAC2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)N2CCCC2CC(C)(C)C)CC1
InChIInChI=1S/C17H33N3O3S/c1-5-24(22,23)19-11-8-14(9-12-19)18-16(21)20-10-6-7-15(20)13-17(2,3)4/h14-15H,5-13H2,1-4H3,(H,18,21)
InChIKeyNUQXQXUZTSHIRG-UHFFFAOYSA-N
MW359.54 g/mol
LogP2.41
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide

2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 49123019) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID49123019
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC Name2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)N2CCCC2CC(C)(C)C)CC1
InChIInChI=1S/C17H33N3O3S/c1-5-24(22,23)19-11-8-14(9-12-19)18-16(21)20-10-6-7-15(20)13-17(2,3)4/h14-15H,5-13H2,1-4H3,(H,18,21)
InChIKeyNUQXQXUZTSHIRG-UHFFFAOYSA-N
XLogP2.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 49123019) is 2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)N2CCCC2CC(C)(C)C)CC1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is NUQXQXUZTSHIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-5-24(22,23)19-11-8-14(9-12-19)18-16(21)20-10-6-7-15(20)13-17(2,3)4/h14-15H,5-13H2,1-4H3,(H,18,21).
What are the key properties of 2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide?
2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-(1-ethylsulfonylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 49123019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).