(3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine

C9H18FNO2S — CID 175876212

IUPAC(3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine
SMILESCC(C)C(C)S(=O)(=O)N1CC[C@H](F)C1
InChIInChI=1S/C9H18FNO2S/c1-7(2)8(3)14(12,13)11-5-4-9(10)6-11/h7-9H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyNNPSNQWZSIYMJZ-GKAPJAKFSA-N
MW223.31 g/mol
LogP1.40
Rot. Bonds3

About (3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine

(3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine (PubChem CID 175876212) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is (3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine
PubChem CID175876212
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name(3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine
SMILESCC(C)C(C)S(=O)(=O)N1CC[C@H](F)C1
InChIInChI=1S/C9H18FNO2S/c1-7(2)8(3)14(12,13)11-5-4-9(10)6-11/h7-9H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyNNPSNQWZSIYMJZ-GKAPJAKFSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.40
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-(3-methylbutan-2-ylsulfonyl)pyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine (CID 175876212) is (3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine is CC(C)C(C)S(=O)(=O)N1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine?
The InChIKey is NNPSNQWZSIYMJZ-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-7(2)8(3)14(12,13)11-5-4-9(10)6-11/h7-9H,4-6H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine?
(3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine has a molecular weight of 223.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine is sourced from PubChem (CID 175876212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).