1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide

C5H10F2N2O2S — CID 79685509

IUPAC1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)C(F)F
InChIInChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-4-1-2-8-3-4/h4-5,8-9H,1-3H2/t4-/m1/s1
InChIKeyOSLOLQWQECMCQX-SCSAIBSYSA-N
MW200.21 g/mol
LogP-0.51
Rot. Bonds3

About 1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide

1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide (PubChem CID 79685509) has the molecular formula C5H10F2N2O2S and a molecular weight of 200.21 g/mol. Its IUPAC name is 1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
PubChem CID79685509
Molecular FormulaC5H10F2N2O2S
Molecular Weight200.21 g/mol
Exact Mass200.04
IUPAC Name1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)C(F)F
InChIInChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-4-1-2-8-3-4/h4-5,8-9H,1-3H2/t4-/m1/s1
InChIKeyOSLOLQWQECMCQX-SCSAIBSYSA-N
XLogP-0.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
(3R)-3-(dimethylsulfamoylamino)pyrrolidine
CID 79685211
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
CID 82816995
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,1-difluoromethanesulfonamide
CID 43602905
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide
CID 43597444
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
(3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
CID 104978131
N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide
CID 43597961
N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride
CID 119966821
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039
N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide
CID 43598118

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide (CID 79685509) is 1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide is O=S(=O)(N[C@@H]1CCNC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is OSLOLQWQECMCQX-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-4-1-2-8-3-4/h4-5,8-9H,1-3H2/t4-/m1/s1.
What are the key properties of 1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 200.21 g/mol, XLogP of -0.51, 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-[(3R)-pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 79685509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).