(2R)-1-ethylsulfonylpyrrolidine-2-carboxamide

C7H14N2O3S — CID 9467773

IUPAC(2R)-1-ethylsulfonylpyrrolidine-2-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C7H14N2O3S/c1-2-13(11,12)9-5-3-4-6(9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m1/s1
InChIKeyRPFVRRLOPQOHJT-ZCFIWIBFSA-N
MW206.27 g/mol
LogP-0.71
Rot. Bonds3

About (2R)-1-ethylsulfonylpyrrolidine-2-carboxamide

(2R)-1-ethylsulfonylpyrrolidine-2-carboxamide (PubChem CID 9467773) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is (2R)-1-ethylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-ethylsulfonylpyrrolidine-2-carboxamide
PubChem CID9467773
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name(2R)-1-ethylsulfonylpyrrolidine-2-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C7H14N2O3S/c1-2-13(11,12)9-5-3-4-6(9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m1/s1
InChIKeyRPFVRRLOPQOHJT-ZCFIWIBFSA-N
XLogP-0.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-ethylsulfonylpyrrolidine-2-carboxamide (CID 9467773) is (2R)-1-ethylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-ethylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-ethylsulfonylpyrrolidine-2-carboxamide is CCS(=O)(=O)N1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-ethylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is RPFVRRLOPQOHJT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-2-13(11,12)9-5-3-4-6(9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m1/s1.
What are the key properties of (2R)-1-ethylsulfonylpyrrolidine-2-carboxamide?
(2R)-1-ethylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 206.27 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 9467773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).