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

C7H14F2N2O3S — CID 114759997

IUPAC1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(O)CCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H14F2N2O3S/c1-11(15(13,14)6(8)9)5-7(12)2-3-10-4-7/h6,10,12H,2-5H2,1H3
InChIKeySSNBXWPZDZCOLM-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.81
Rot. Bonds4

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

1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide (PubChem CID 114759997) has the molecular formula C7H14F2N2O3S and a molecular weight of 244.26 g/mol. Its IUPAC name is 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
PubChem CID114759997
Molecular FormulaC7H14F2N2O3S
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC Name1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(O)CCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H14F2N2O3S/c1-11(15(13,14)6(8)9)5-7(12)2-3-10-4-7/h6,10,12H,2-5H2,1H3
InChIKeySSNBXWPZDZCOLM-UHFFFAOYSA-N
XLogP-0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
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
3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 103357540
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
4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 114760060
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide
CID 114760085
3-Hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
CID 114805127

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide (CID 114759997) is 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide is CN(CC1(O)CCNC1)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide?
The InChIKey is SSNBXWPZDZCOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O3S/c1-11(15(13,14)6(8)9)5-7(12)2-3-10-4-7/h6,10,12H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide?
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide has a molecular weight of 244.26 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 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]-N-methylmethanesulfonamide is sourced from PubChem (CID 114759997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).