(2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide

C8H15FN2O4S — CID 154735432

IUPAC(2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide
SMILESCOCCS(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C8H15FN2O4S/c1-15-2-3-16(13,14)11-5-6(9)4-7(11)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)/t6-,7+/m1/s1
InChIKeyCWOZIMYUXUWUPX-RQJHMYQMSA-N
MW254.28 g/mol
LogP-1.14
Rot. Bonds5

About (2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 154735432) has the molecular formula C8H15FN2O4S and a molecular weight of 254.28 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID154735432
Molecular FormulaC8H15FN2O4S
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name(2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide
SMILESCOCCS(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C8H15FN2O4S/c1-15-2-3-16(13,14)11-5-6(9)4-7(11)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)/t6-,7+/m1/s1
InChIKeyCWOZIMYUXUWUPX-RQJHMYQMSA-N
XLogP-1.14
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide (CID 154735432) is (2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide is COCCS(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is CWOZIMYUXUWUPX-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15FN2O4S/c1-15-2-3-16(13,14)11-5-6(9)4-7(11)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 254.28 g/mol, XLogP of -1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154735432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).