(4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide

C8H14FN3O4S — CID 118349047

IUPAC(4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)NCC(=O)N1C[C@H](F)CC1C(N)=O
InChIInChI=1S/C8H14FN3O4S/c1-17(15,16)11-3-7(13)12-4-5(9)2-6(12)8(10)14/h5-6,11H,2-4H2,1H3,(H2,10,14)/t5-,6?/m1/s1
InChIKeyILBMFLFIZXGSCA-LWOQYNTDSA-N
MW267.28 g/mol
LogP-2.04
Rot. Bonds4

About (4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide

(4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide (PubChem CID 118349047) has the molecular formula C8H14FN3O4S and a molecular weight of 267.28 g/mol. Its IUPAC name is (4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide
PubChem CID118349047
Molecular FormulaC8H14FN3O4S
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name(4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)NCC(=O)N1C[C@H](F)CC1C(N)=O
InChIInChI=1S/C8H14FN3O4S/c1-17(15,16)11-3-7(13)12-4-5(9)2-6(12)8(10)14/h5-6,11H,2-4H2,1H3,(H2,10,14)/t5-,6?/m1/s1
InChIKeyILBMFLFIZXGSCA-LWOQYNTDSA-N
XLogP-2.04
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-2.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide
CID 70047808
(S)-1-(3-Trifluoromethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid amide
CID 11336088
(2S)-1-acetyl-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]pyrrolidine-2-carboxamide
CID 53500657
(2S)-N-methylsulfonylpyrrolidine-2-carboxamide
CID 11194856
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 53499006
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride
CID 22732195
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide
CID 22732196
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide;hydrochloride
CID 69891264
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide
CID 69891265
(2S)-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
CID 89826343
4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
CID 89826344
1-(2,2-dimethylpropyl)-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
CID 124195758

Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide (CID 118349047) is (4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide is CS(=O)(=O)NCC(=O)N1C[C@H](F)CC1C(N)=O.
What is the InChIKey of (4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is ILBMFLFIZXGSCA-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H14FN3O4S/c1-17(15,16)11-3-7(13)12-4-5(9)2-6(12)8(10)14/h5-6,11H,2-4H2,1H3,(H2,10,14)/t5-,6?/m1/s1.
What are the key properties of (4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide?
(4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118349047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).