1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide

C6H13FN2O2S — CID 175931178

IUPAC1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
SMILESCC1CNCC1NS(=O)(=O)CF
InChIInChI=1S/C6H13FN2O2S/c1-5-2-8-3-6(5)9-12(10,11)4-7/h5-6,8-9H,2-4H2,1H3
InChIKeyGSKIYEGKXJUQGR-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.56
Rot. Bonds3

About 1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide

1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 175931178) has the molecular formula C6H13FN2O2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
PubChem CID175931178
Molecular FormulaC6H13FN2O2S
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC Name1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
SMILESCC1CNCC1NS(=O)(=O)CF
InChIInChI=1S/C6H13FN2O2S/c1-5-2-8-3-6(5)9-12(10,11)4-7/h5-6,8-9H,2-4H2,1H3
InChIKeyGSKIYEGKXJUQGR-UHFFFAOYSA-N
XLogP-0.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of 1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide (CID 175931178) is 1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for 1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide is CC1CNCC1NS(=O)(=O)CF.
What is the InChIKey of 1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is GSKIYEGKXJUQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O2S/c1-5-2-8-3-6(5)9-12(10,11)4-7/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide?
1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 196.25 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 175931178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).