(3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine

C7H14FNO2S — CID 134590493

IUPAC(3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CC[C@H](F)C1
InChIInChI=1S/C7H14FNO2S/c1-6(2)12(10,11)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyCZBOWKWIYGHGNX-ZETCQYMHSA-N
MW195.26 g/mol
LogP0.77
Rot. Bonds2

About (3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine

(3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine (PubChem CID 134590493) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is (3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine
PubChem CID134590493
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name(3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CC[C@H](F)C1
InChIInChI=1S/C7H14FNO2S/c1-6(2)12(10,11)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyCZBOWKWIYGHGNX-ZETCQYMHSA-N
XLogP0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine (CID 134590493) is (3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine is CC(C)S(=O)(=O)N1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is CZBOWKWIYGHGNX-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-6(2)12(10,11)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine?
(3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 195.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 134590493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).