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

C8H15FN2O3S — CID 176637980

IUPACN-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide
SMILESCCC(=O)NS(=O)(=O)C[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C8H15FN2O3S/c1-2-8(12)11-15(13,14)5-6-3-10-4-7(6)9/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyPEGFKDRLRJLOGQ-BQBZGAKWSA-N
MW238.28 g/mol
LogP-0.60
Rot. Bonds4

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

N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide (PubChem CID 176637980) 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]methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide
PubChem CID176637980
Molecular FormulaC8H15FN2O3S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide
SMILESCCC(=O)NS(=O)(=O)C[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C8H15FN2O3S/c1-2-8(12)11-15(13,14)5-6-3-10-4-7(6)9/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyPEGFKDRLRJLOGQ-BQBZGAKWSA-N
XLogP-0.60
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 ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethylsulfonyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 164633683
2-(3-Fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanamide
CID 71010688
N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103306790
N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103307806
N-propylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113800883
N-ethylsulfonyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 136539371
N-methyl-2-oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanesulfonamide
CID 138024990
N-[3-[(3S,4S)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]propyl]acetamide
CID 154740482
3-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide
CID 90789484
N-(Cyclopropanesulfonyl)pyrrolidine-3-carboxamide
CID 103308539
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345324
2-(dipropylsulfamoyl)-N-(3-methylbutyl)propanamide
CID 145859386

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide?
The IUPAC name of N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide (CID 176637980) is N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide.
What is the SMILES notation for N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide?
The canonical SMILES for N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide is CCC(=O)NS(=O)(=O)C[C@@H]1CNC[C@@H]1F.
What is the InChIKey of N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide?
The InChIKey is PEGFKDRLRJLOGQ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15FN2O3S/c1-2-8(12)11-15(13,14)5-6-3-10-4-7(6)9/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7-/m0/s1.
What are the key properties of N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide?
N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide has a molecular weight of 238.28 g/mol, XLogP of -0.60, 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]methylsulfonyl]propanamide is sourced from PubChem (CID 176637980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).