N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide

C8H15FN2O3S — CID 118073579

IUPACN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)N[C@@H]1CNC[C@H]1F
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)/t6-,7-/m1/s1
InChIKeyFBXYUPNTYGIGCU-RNFRBKRXSA-N
MW238.28 g/mol
LogP-1.15
Rot. Bonds4

About N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide

N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide (PubChem CID 118073579) has the molecular formula C8H15FN2O3S and a molecular weight of 238.28 g/mol. Its IUPAC name is N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide
PubChem CID118073579
Molecular FormulaC8H15FN2O3S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)N[C@@H]1CNC[C@H]1F
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)/t6-,7-/m1/s1
InChIKeyFBXYUPNTYGIGCU-RNFRBKRXSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide (CID 118073579) is N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)N[C@@H]1CNC[C@H]1F.
What is the InChIKey of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide?
The InChIKey is FBXYUPNTYGIGCU-RNFRBKRXSA-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)/t6-,7-/m1/s1.
What are the key properties of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide?
N-[(3R,4R)-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-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 118073579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).