(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide

C9H18N2O3S — CID 59831561

IUPAC(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)(C)S(=O)(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C9H18N2O3S/c1-9(2,3)15(13,14)11-6-4-5-7(11)8(10)12/h7H,4-6H2,1-3H3,(H2,10,12)/t7-/m1/s1
InChIKeyWWZRIFXFYIUWOV-SSDOTTSWSA-N
MW234.32 g/mol
LogP0.06
Rot. Bonds2

About (2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide

(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide (PubChem CID 59831561) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is (2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide
PubChem CID59831561
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)(C)S(=O)(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C9H18N2O3S/c1-9(2,3)15(13,14)11-6-4-5-7(11)8(10)12/h7H,4-6H2,1-3H3,(H2,10,12)/t7-/m1/s1
InChIKeyWWZRIFXFYIUWOV-SSDOTTSWSA-N
XLogP0.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
CID 58877739
(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine
CID 63767722
2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid
CID 63689892
1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide
CID 43212156
1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide
CID 79589293
1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide
CID 166222586
(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide
CID 100633794
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
(2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 99856807
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide (CID 59831561) is (2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide is CC(C)(C)S(=O)(=O)N1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WWZRIFXFYIUWOV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2,3)15(13,14)11-6-4-5-7(11)8(10)12/h7H,4-6H2,1-3H3,(H2,10,12)/t7-/m1/s1.
What are the key properties of (2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide?
(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59831561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).