(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride

C9H16FNO3S — CID 168674784

IUPAC(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO3S/c1-3-7(2)11-5-8(4-9(11)12)6-15(10,13)14/h7-8H,3-6H2,1-2H3
InChIKeyZXRDPRKKVVJGQV-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.93
Rot. Bonds4

About (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride

(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168674784) has the molecular formula C9H16FNO3S and a molecular weight of 237.30 g/mol. Its IUPAC name is (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168674784
Molecular FormulaC9H16FNO3S
Molecular Weight237.30 g/mol
Exact Mass237.08
IUPAC Name(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO3S/c1-3-7(2)11-5-8(4-9(11)12)6-15(10,13)14/h7-8H,3-6H2,1-2H3
InChIKeyZXRDPRKKVVJGQV-UHFFFAOYSA-N
XLogP0.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (CID 168674784) is (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is CCC(C)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is ZXRDPRKKVVJGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3S/c1-3-7(2)11-5-8(4-9(11)12)6-15(10,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 237.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168674784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).