1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide

C6H12F2N2O2S — CID 60806327

IUPAC1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C6H12F2N2O2S/c1-10(5-2-3-9-4-5)13(11,12)6(7)8/h5-6,9H,2-4H2,1H3
InChIKeyOURVESIOXSDFRO-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.17
Rot. Bonds3

About 1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide

1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide (PubChem CID 60806327) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
PubChem CID60806327
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C6H12F2N2O2S/c1-10(5-2-3-9-4-5)13(11,12)6(7)8/h5-6,9H,2-4H2,1H3
InChIKeyOURVESIOXSDFRO-UHFFFAOYSA-N
XLogP-0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide (CID 60806327) is 1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide is CN(C1CCNC1)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide?
The InChIKey is OURVESIOXSDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c1-10(5-2-3-9-4-5)13(11,12)6(7)8/h5-6,9H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide?
1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide has a molecular weight of 214.24 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide is sourced from PubChem (CID 60806327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).