1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide

C6H12F2N2O2S — CID 104826070

IUPAC1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
SMILESCC1CNCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C6H12F2N2O2S/c1-4-2-9-3-5(4)10-13(11,12)6(7)8/h4-6,9-10H,2-3H2,1H3
InChIKeyRBFPXUKEZXESCT-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.26
Rot. Bonds3

About 1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide

1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 104826070) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
PubChem CID104826070
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
SMILESCC1CNCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C6H12F2N2O2S/c1-4-2-9-3-5(4)10-13(11,12)6(7)8/h4-6,9-10H,2-3H2,1H3
InChIKeyRBFPXUKEZXESCT-UHFFFAOYSA-N
XLogP-0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 104826091
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide
CID 43597444
4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826095
2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826074
1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685509
N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide
CID 104826101
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,1-difluoromethanesulfonamide
CID 43602905
2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826055
(3R,4R)-N-cyclopropyl-4-methylpyrrolidin-3-amine
CID 68976248
N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide
CID 76891612
N-(2-chlorocyclohexyl)-1,1-difluoromethanesulfonamide
CID 65031045
N-(4-methylpyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104826100

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide (CID 104826070) is 1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide is CC1CNCC1NS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is RBFPXUKEZXESCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c1-4-2-9-3-5(4)10-13(11,12)6(7)8/h4-6,9-10H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide?
1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 214.24 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 104826070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).