pyrrolidin-2-ylmethanesulfonamide

C5H12N2O2S — CID 54593028

IUPACpyrrolidin-2-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1
InChIInChI=1S/C5H12N2O2S/c6-10(8,9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKeyRSPRMRVYZCSKLD-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.97
Rot. Bonds2

About pyrrolidin-2-ylmethanesulfonamide

pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54593028) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound Namepyrrolidin-2-ylmethanesulfonamide
PubChem CID54593028
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Namepyrrolidin-2-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1
InChIInChI=1S/C5H12N2O2S/c6-10(8,9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKeyRSPRMRVYZCSKLD-UHFFFAOYSA-N
XLogP-0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of pyrrolidin-2-ylmethanesulfonamide (CID 54593028) is pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for pyrrolidin-2-ylmethanesulfonamide is NS(=O)(=O)CC1CCCN1.
What is the InChIKey of pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is RSPRMRVYZCSKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c6-10(8,9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H2,6,8,9).
What are the key properties of pyrrolidin-2-ylmethanesulfonamide?
pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54593028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).