1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

C6H11F3N2O2S — CID 53412406

IUPAC1,1,1-trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESC1CC(NC1)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-4-5-2-1-3-10-5/h5,10-11H,1-4H2
InChIKeyRIWFUAUXWIEOTK-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.70
Rot. Bonds3

About 1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (PubChem CID 53412406) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
PubChem CID53412406
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name1,1,1-trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESC1CC(NC1)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-4-5-2-1-3-10-5/h5,10-11H,1-4H2
InChIKeyRIWFUAUXWIEOTK-UHFFFAOYSA-N
XLogP0.70
TPSA66.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity282

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide
CID 11368252
((2R)-1-methanesulfonylpyrrolidin-2-yl)methanamine
CID 71757008
(R)-1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 70700475
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 169240282
1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 59298226
Pyrrolidine trifluoromethanesulfonamide
CID 66808720
N-(Pyrrolidine-3alpha-yl)trifluoromethanesulfonamide
CID 71194434
1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide
CID 15605672
1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide
CID 24796609
(1-Ethylpyrrolidin-2-yl)methanaminium triflate
CID 138392302
1-Trifluoromethanesulfonylpiperidin-3-amine
CID 43605498
1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
CID 58736222

Frequently Asked Questions

What is the IUPAC name of 1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (CID 53412406) is 1,1,1-trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is C1CC(NC1)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The InChIKey is RIWFUAUXWIEOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-4-5-2-1-3-10-5/h5,10-11H,1-4H2.
What are the key properties of 1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide has a molecular weight of 232.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 53412406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).