(3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine

C8H16FNO2S — CID 145315351

IUPAC(3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine
SMILESCC(C)(C)S(=O)(=O)N1CC[C@H](F)C1
InChIInChI=1S/C8H16FNO2S/c1-8(2,3)13(11,12)10-5-4-7(9)6-10/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyLAEHISJQXMIYQY-ZETCQYMHSA-N
MW209.29 g/mol
LogP1.16
Rot. Bonds1

About (3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine

(3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine (PubChem CID 145315351) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is (3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine
PubChem CID145315351
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name(3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine
SMILESCC(C)(C)S(=O)(=O)N1CC[C@H](F)C1
InChIInChI=1S/C8H16FNO2S/c1-8(2,3)13(11,12)10-5-4-7(9)6-10/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyLAEHISJQXMIYQY-ZETCQYMHSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butylsulfonylpyrrolidine
CID 303063
1-(1,1-Difluoroethylsulfonyl)pyrrolidine
CID 58122743
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CID 58122764
(3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine
CID 58562000
(3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine
CID 59267936
1-Tert-butylsulfonyl-4-fluoro-2-methylpyrrolidine
CID 68353251
(3R)-1-tert-butylsulfonyl-3-fluoropyrrolidine
CID 70897086
1-(2,3-Dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine
CID 72265778
1-Tert-butylsulfonyl-3-fluoropyrrolidine
CID 77948585
1-Butyl-1-methylpyrrolidin-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87815106
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)pyrrolidine
CID 88916710
1-(1,1,2,2,3,3,4,4-Octafluoropentylsulfonyl)pyrrolidine
CID 88916714

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine?
The IUPAC name of (3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine (CID 145315351) is (3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine.
What is the SMILES notation for (3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine?
The canonical SMILES for (3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine is CC(C)(C)S(=O)(=O)N1CC[C@H](F)C1.
What is the InChIKey of (3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine?
The InChIKey is LAEHISJQXMIYQY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-8(2,3)13(11,12)10-5-4-7(9)6-10/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine?
(3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine has a molecular weight of 209.29 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butylsulfonyl-3-fluoropyrrolidine is sourced from PubChem (CID 145315351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).