1-(oxan-4-ylsulfonyl)pyrrolidine

C9H17NO3S — CID 63081716

IUPAC1-(oxan-4-ylsulfonyl)pyrrolidine
SMILESO=S(=O)(C1CCOCC1)N1CCCC1
InChIInChI=1S/C9H17NO3S/c11-14(12,10-5-1-2-6-10)9-3-7-13-8-4-9/h9H,1-8H2
InChIKeyCBKGIQNPTGFJOB-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.59
Rot. Bonds2

About 1-(oxan-4-ylsulfonyl)pyrrolidine

1-(oxan-4-ylsulfonyl)pyrrolidine (PubChem CID 63081716) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(oxan-4-ylsulfonyl)pyrrolidine
PubChem CID63081716
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name1-(oxan-4-ylsulfonyl)pyrrolidine
SMILESO=S(=O)(C1CCOCC1)N1CCCC1
InChIInChI=1S/C9H17NO3S/c11-14(12,10-5-1-2-6-10)9-3-7-13-8-4-9/h9H,1-8H2
InChIKeyCBKGIQNPTGFJOB-UHFFFAOYSA-N
XLogP0.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfonyl)pyrrolidine?
The IUPAC name of 1-(oxan-4-ylsulfonyl)pyrrolidine (CID 63081716) is 1-(oxan-4-ylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(oxan-4-ylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(oxan-4-ylsulfonyl)pyrrolidine is O=S(=O)(C1CCOCC1)N1CCCC1.
What is the InChIKey of 1-(oxan-4-ylsulfonyl)pyrrolidine?
The InChIKey is CBKGIQNPTGFJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-14(12,10-5-1-2-6-10)9-3-7-13-8-4-9/h9H,1-8H2.
What are the key properties of 1-(oxan-4-ylsulfonyl)pyrrolidine?
1-(oxan-4-ylsulfonyl)pyrrolidine has a molecular weight of 219.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfonyl)pyrrolidine is sourced from PubChem (CID 63081716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).