(2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide

C8H16N2O3S — CID 122663034

IUPAC(2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C8H16N2O3S/c1-6(2)14(12,13)10-5-3-4-7(10)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t7-/m1/s1
InChIKeySAXZSFCHPCKGMM-SSDOTTSWSA-N
MW220.29 g/mol
LogP-0.33
Rot. Bonds3

About (2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 122663034) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is (2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID122663034
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name(2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C8H16N2O3S/c1-6(2)14(12,13)10-5-3-4-7(10)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t7-/m1/s1
InChIKeySAXZSFCHPCKGMM-SSDOTTSWSA-N
XLogP-0.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide (CID 122663034) is (2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide is CC(C)S(=O)(=O)N1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is SAXZSFCHPCKGMM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6(2)14(12,13)10-5-3-4-7(10)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t7-/m1/s1.
What are the key properties of (2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 122663034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).