1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide

C5H9F3N2O2S — CID 134991525

IUPAC1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-4-2-1-3-9-4/h4,9-10H,1-3H2/t4-/m1/s1
InChIKeyKYKITECDMCOLJI-SCSAIBSYSA-N
MW218.20 g/mol
LogP0.14
Rot. Bonds2

About 1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide (PubChem CID 134991525) has the molecular formula C5H9F3N2O2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide
PubChem CID134991525
Molecular FormulaC5H9F3N2O2S
Molecular Weight218.20 g/mol
Exact Mass218.03
IUPAC Name1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-4-2-1-3-9-4/h4,9-10H,1-3H2/t4-/m1/s1
InChIKeyKYKITECDMCOLJI-SCSAIBSYSA-N
XLogP0.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrrolidin-2-ylmethanesulfonamide
CID 173138820
N-(methylsulfamoyl)pyrrolidin-2-amine
CID 117126136
N-[(2S)-pyrrolidin-2-yl]formamide
CID 91588342
N-pyrrolidin-2-ylmorpholine-4-sulfonamide
CID 117126254
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 54471694
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
CID 143893294
1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
CID 71194432
N-piperidin-2-ylmorpholine-4-sulfonamide
CID 117126253
N-chloropiperidin-2-amine
CID 174559838
1,1,1-trifluoro-N-[(2S,5R)-2-methyl-1,3-oxazolidin-5-yl]methanesulfonamide
CID 71195126
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
CID 176856861
2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 63256684

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide (CID 134991525) is 1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide is O=S(=O)(N[C@@H]1CCCN1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is KYKITECDMCOLJI-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-4-2-1-3-9-4/h4,9-10H,1-3H2/t4-/m1/s1.
What are the key properties of 1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 218.20 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 134991525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).