(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine

C9H13NO3S — CID 97292709

IUPAC(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine
SMILESO=S(=O)(Cc1ccco1)[C@H]1CCNC1
InChIInChI=1S/C9H13NO3S/c11-14(12,9-3-4-10-6-9)7-8-2-1-5-13-8/h1-2,5,9-10H,3-4,6-7H2/t9-/m0/s1
InChIKeyAOZDKOVGAJTPLA-VIFPVBQESA-N
MW215.27 g/mol
LogP0.56
Rot. Bonds3

About (3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine

(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine (PubChem CID 97292709) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine
PubChem CID97292709
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine
SMILESO=S(=O)(Cc1ccco1)[C@H]1CCNC1
InChIInChI=1S/C9H13NO3S/c11-14(12,9-3-4-10-6-9)7-8-2-1-5-13-8/h1-2,5,9-10H,3-4,6-7H2/t9-/m0/s1
InChIKeyAOZDKOVGAJTPLA-VIFPVBQESA-N
XLogP0.56
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine?
The IUPAC name of (3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine (CID 97292709) is (3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine?
The canonical SMILES for (3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine is O=S(=O)(Cc1ccco1)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine?
The InChIKey is AOZDKOVGAJTPLA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO3S/c11-14(12,9-3-4-10-6-9)7-8-2-1-5-13-8/h1-2,5,9-10H,3-4,6-7H2/t9-/m0/s1.
What are the key properties of (3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine?
(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine has a molecular weight of 215.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidine is sourced from PubChem (CID 97292709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).