1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide

C6H12F2N2O3S — CID 114760085

IUPAC1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1(O)CCNC1)C(F)F
InChIInChI=1S/C6H12F2N2O3S/c7-5(8)14(12,13)10-4-6(11)1-2-9-3-6/h5,9-11H,1-4H2
InChIKeyPOYKGLCGIFGQAB-UHFFFAOYSA-N
MW230.24 g/mol
LogP-1.15
Rot. Bonds4

About 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide

1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide (PubChem CID 114760085) has the molecular formula C6H12F2N2O3S and a molecular weight of 230.24 g/mol. Its IUPAC name is 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide
PubChem CID114760085
Molecular FormulaC6H12F2N2O3S
Molecular Weight230.24 g/mol
Exact Mass230.05
IUPAC Name1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1(O)CCNC1)C(F)F
InChIInChI=1S/C6H12F2N2O3S/c7-5(8)14(12,13)10-4-6(11)1-2-9-3-6/h5,9-11H,1-4H2
InChIKeyPOYKGLCGIFGQAB-UHFFFAOYSA-N
XLogP-1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 86769483
(3R)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97217918
(3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97217919
3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 103357539
1-(Difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871370
1-(1-Aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737677
1-(1-Aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737678
4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbutane-1-sulfonamide
CID 114759965
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
CID 114759997
4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 114760060
3-Hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
CID 114805127
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol
CID 114805134

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide (CID 114760085) is 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide is O=S(=O)(NCC1(O)CCNC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide?
The InChIKey is POYKGLCGIFGQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O3S/c7-5(8)14(12,13)10-4-6(11)1-2-9-3-6/h5,9-11H,1-4H2.
What are the key properties of 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide?
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide has a molecular weight of 230.24 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 114760085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).