3-(benzenesulfonyl)pyrrolidine

C10H13NO2S — CID 3614203

IUPAC3-(benzenesulfonyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1)C1CCNC1
InChIInChI=1S/C10H13NO2S/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyLHGKEGUGTRSIKW-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.82
Rot. Bonds2

About 3-(benzenesulfonyl)pyrrolidine

3-(benzenesulfonyl)pyrrolidine (PubChem CID 3614203) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-(benzenesulfonyl)pyrrolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)pyrrolidine
PubChem CID3614203
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-(benzenesulfonyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1)C1CCNC1
InChIInChI=1S/C10H13NO2S/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyLHGKEGUGTRSIKW-UHFFFAOYSA-N
XLogP0.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)pyrrolidine?
The IUPAC name of 3-(benzenesulfonyl)pyrrolidine (CID 3614203) is 3-(benzenesulfonyl)pyrrolidine.
What is the SMILES notation for 3-(benzenesulfonyl)pyrrolidine?
The canonical SMILES for 3-(benzenesulfonyl)pyrrolidine is O=S(=O)(c1ccccc1)C1CCNC1.
What is the InChIKey of 3-(benzenesulfonyl)pyrrolidine?
The InChIKey is LHGKEGUGTRSIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 3-(benzenesulfonyl)pyrrolidine?
3-(benzenesulfonyl)pyrrolidine has a molecular weight of 211.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)pyrrolidine is sourced from PubChem (CID 3614203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).