(2S)-N-sulfonylpyrrolidine-2-carboxamide

C5H8N2O3S — CID 21364254

IUPAC(2S)-N-sulfonylpyrrolidine-2-carboxamide
SMILESO=C(N=S(=O)=O)[C@@H]1CCCN1
InChIInChI=1S/C5H8N2O3S/c8-5(7-11(9)10)4-2-1-3-6-4/h4,6H,1-3H2/t4-/m0/s1
InChIKeyWVXWGGFLDKNMRI-BYPYZUCNSA-N
MW176.20 g/mol
LogP-0.67
Rot. Bonds1

About (2S)-N-sulfonylpyrrolidine-2-carboxamide

(2S)-N-sulfonylpyrrolidine-2-carboxamide (PubChem CID 21364254) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is (2S)-N-sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-sulfonylpyrrolidine-2-carboxamide
PubChem CID21364254
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name(2S)-N-sulfonylpyrrolidine-2-carboxamide
SMILESO=C(N=S(=O)=O)[C@@H]1CCCN1
InChIInChI=1S/C5H8N2O3S/c8-5(7-11(9)10)4-2-1-3-6-4/h4,6H,1-3H2/t4-/m0/s1
InChIKeyWVXWGGFLDKNMRI-BYPYZUCNSA-N
XLogP-0.67
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
N-(piperidine-2-carbonylimino)piperidine-2-carboxamide
CID 14446535
potassium (2S)-pyrrolidine-2-carboxylate
CID 23681229
copper (2S)-pyrrolidine-2-carboxylate
CID 172711249
lithium (2S)-pyrrolidine-2-carboxylate
CID 23691818
dilithium bis((2S)-pyrrolidine-2-carboxylate)
CID 169095564
azanium (2S)-pyrrolidine-2-carboxylate
CID 141355095
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(213C)azolidine-2-carboxylic acid
CID 10290769
bis[(2S)-piperidin-2-yl]methanone
CID 174971247

Frequently Asked Questions

What is the IUPAC name of (2S)-N-sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-sulfonylpyrrolidine-2-carboxamide (CID 21364254) is (2S)-N-sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-sulfonylpyrrolidine-2-carboxamide is O=C(N=S(=O)=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-sulfonylpyrrolidine-2-carboxamide?
The InChIKey is WVXWGGFLDKNMRI-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8N2O3S/c8-5(7-11(9)10)4-2-1-3-6-4/h4,6H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-N-sulfonylpyrrolidine-2-carboxamide?
(2S)-N-sulfonylpyrrolidine-2-carboxamide has a molecular weight of 176.20 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 21364254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).