3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol

C12H23NO4S — CID 55076169

IUPAC3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESO=S(=O)(C1CCOCC1)N1CCCC1CCCO
InChIInChI=1S/C12H23NO4S/c14-8-2-4-11-3-1-7-13(11)18(15,16)12-5-9-17-10-6-12/h11-12,14H,1-10H2
InChIKeyLOHUGWUZXKBZKB-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.73
Rot. Bonds5

About 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076169) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID55076169
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol
SMILESO=S(=O)(C1CCOCC1)N1CCCC1CCCO
InChIInChI=1S/C12H23NO4S/c14-8-2-4-11-3-1-7-13(11)18(15,16)12-5-9-17-10-6-12/h11-12,14H,1-10H2
InChIKeyLOHUGWUZXKBZKB-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol (CID 55076169) is 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol is O=S(=O)(C1CCOCC1)N1CCCC1CCCO.
What is the InChIKey of 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is LOHUGWUZXKBZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c14-8-2-4-11-3-1-7-13(11)18(15,16)12-5-9-17-10-6-12/h11-12,14H,1-10H2.
What are the key properties of 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-4-ylsulfonyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).