(2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine

C10H13ClFNO2S2 — CID 139563893

IUPAC(2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine
SMILESC[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClFNO2S2/c1-6-5-8(12)7(2)13(6)17(14,15)10-4-3-9(11)16-10/h3-4,6-8H,5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyAGKDGJWDHURQLO-GJMOJQLCSA-N
MW297.80 g/mol
LogP2.91
Rot. Bonds2

About (2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine

(2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine (PubChem CID 139563893) has the molecular formula C10H13ClFNO2S2 and a molecular weight of 297.80 g/mol. Its IUPAC name is (2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name(2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine
PubChem CID139563893
Molecular FormulaC10H13ClFNO2S2
Molecular Weight297.80 g/mol
Exact Mass297.01
IUPAC Name(2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine
SMILESC[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClFNO2S2/c1-6-5-8(12)7(2)13(6)17(14,15)10-4-3-9(11)16-10/h3-4,6-8H,5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyAGKDGJWDHURQLO-GJMOJQLCSA-N
XLogP2.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-(piperidylsulfonyl)thiophene
CID 1541659
1-[(2,5-Dichloro-3-thienyl)sulfonyl]pyrrolidine
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CID 16302058
5-Chloro-2-(pyrrolidinylsulfonyl)thiophene
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1-(5-Chlorothiophen-2-yl)sulfonylazepane
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CID 92092670
1-(5-Chlorothiophen-2-yl)sulfonyl-2-methylpiperidine
CID 19682580
(1R,5S)-8-((5-chlorothiophen-2-yl)sulfonyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 76150721
3-Chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide
CID 88946883
CID 88946924
CID 88946924
3-Chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride
CID 88946986
6-(5-Chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane
CID 168897980

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine?
The IUPAC name of (2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine (CID 139563893) is (2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine.
What is the SMILES notation for (2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine?
The canonical SMILES for (2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine is C[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of (2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine?
The InChIKey is AGKDGJWDHURQLO-GJMOJQLCSA-N. The full InChI is InChI=1S/C10H13ClFNO2S2/c1-6-5-8(12)7(2)13(6)17(14,15)10-4-3-9(11)16-10/h3-4,6-8H,5H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of (2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine?
(2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine has a molecular weight of 297.80 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-1-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-2,5-dimethylpyrrolidine is sourced from PubChem (CID 139563893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).