3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide

C15H28FN3O3S — CID 146105210

IUPAC3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
SMILESCN1CCC(N2CC(NS(=O)(=O)CC(C)(C)CF)CC2=O)CC1
InChIInChI=1S/C15H28FN3O3S/c1-15(2,10-16)11-23(21,22)17-12-8-14(20)19(9-12)13-4-6-18(3)7-5-13/h12-13,17H,4-11H2,1-3H3
InChIKeyLVGOCYNARKXRIX-UHFFFAOYSA-N
MW349.47 g/mol
LogP0.60
Rot. Bonds6

About 3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide

3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 146105210) has the molecular formula C15H28FN3O3S and a molecular weight of 349.47 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID146105210
Molecular FormulaC15H28FN3O3S
Molecular Weight349.47 g/mol
Exact Mass349.18
IUPAC Name3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
SMILESCN1CCC(N2CC(NS(=O)(=O)CC(C)(C)CF)CC2=O)CC1
InChIInChI=1S/C15H28FN3O3S/c1-15(2,10-16)11-23(21,22)17-12-8-14(20)19(9-12)13-4-6-18(3)7-5-13/h12-13,17H,4-11H2,1-3H3
InChIKeyLVGOCYNARKXRIX-UHFFFAOYSA-N
XLogP0.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide?
The IUPAC name of 3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide (CID 146105210) is 3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide is CN1CCC(N2CC(NS(=O)(=O)CC(C)(C)CF)CC2=O)CC1.
What is the InChIKey of 3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is LVGOCYNARKXRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3O3S/c1-15(2,10-16)11-23(21,22)17-12-8-14(20)19(9-12)13-4-6-18(3)7-5-13/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide?
3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 349.47 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 146105210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).