N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide

C8H15FN2O3S — CID 123845326

IUPACN-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1CNCC1F
InChIInChI=1S/C8H15FN2O3S/c1-15(13,14)3-2-8(12)11-7-5-10-4-6(7)9/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyFBXYUPNTYGIGCU-UHFFFAOYSA-N
MW238.28 g/mol
LogP-1.15
Rot. Bonds4

About N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide

N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide (PubChem CID 123845326) has the molecular formula C8H15FN2O3S and a molecular weight of 238.28 g/mol. Its IUPAC name is N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
PubChem CID123845326
Molecular FormulaC8H15FN2O3S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1CNCC1F
InChIInChI=1S/C8H15FN2O3S/c1-15(13,14)3-2-8(12)11-7-5-10-4-6(7)9/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyFBXYUPNTYGIGCU-UHFFFAOYSA-N
XLogP-1.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24692832
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28177537
N-((3R,4R)-4-fluoropyrrolidin-3-yl)-3-(methylsulfonyl)propanamide
CID 118073579
N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 118073581
N-(4,4-difluoropyrrolidin-3-yl)-3-(methylsulfonyl)propanamide hydrochloride
CID 118073717
N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
CID 118073718
3-Fluoro-4-(3-methylsulfonylpropanoylamino)pyrrolidine-1-carboxylic acid
CID 118073725
3,3-Difluoro-4-(3-methylsulfonylpropanoylamino)pyrrolidine-1-carboxylic acid
CID 118095390
N-(4,4-difluoropyrrolidin-3-yl)-3-ethylsulfonylpropanamide
CID 118102575
N-[(3R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 135128777
Tert-butyl (3R,4R)-3-fluoro-4-(3-(methylsulfonyl)propanamido)pyrrolidine-1-carboxylate
CID 162342954

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide (CID 123845326) is N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NC1CNCC1F.
What is the InChIKey of N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide?
The InChIKey is FBXYUPNTYGIGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O3S/c1-15(13,14)3-2-8(12)11-7-5-10-4-6(7)9/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide?
N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide has a molecular weight of 238.28 g/mol, XLogP of -1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 123845326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).