(2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide

C6H12F2N2O2S — CID 130670104

IUPAC(2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC[C@@H]1C(F)F
InChIInChI=1S/C6H12F2N2O2S/c1-9-13(11,12)10-4-2-3-5(10)6(7)8/h5-6,9H,2-4H2,1H3/t5-/m1/s1
InChIKeyJGVROQOKUXJMNS-RXMQYKEDSA-N
MW214.24 g/mol
LogP0.18
Rot. Bonds3

About (2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide

(2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 130670104) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is (2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID130670104
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name(2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC[C@@H]1C(F)F
InChIInChI=1S/C6H12F2N2O2S/c1-9-13(11,12)10-4-2-3-5(10)6(7)8/h5-6,9H,2-4H2,1H3/t5-/m1/s1
InChIKeyJGVROQOKUXJMNS-RXMQYKEDSA-N
XLogP0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide (CID 130670104) is (2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1CCC[C@@H]1C(F)F.
What is the InChIKey of (2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is JGVROQOKUXJMNS-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c1-9-13(11,12)10-4-2-3-5(10)6(7)8/h5-6,9H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide?
(2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 214.24 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(difluoromethyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 130670104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).