2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide

C14H27NO3S — CID 134402281

IUPAC2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide
SMILESCC(C)C1CC(OCC(C)C2CCCS2(=O)=O)CN1
InChIInChI=1S/C14H27NO3S/c1-10(2)13-7-12(8-15-13)18-9-11(3)14-5-4-6-19(14,16)17/h10-15H,4-9H2,1-3H3
InChIKeyFXCVTDWIUQSFNJ-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.60
Rot. Bonds5

About 2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide

2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide (PubChem CID 134402281) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide
PubChem CID134402281
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide
SMILESCC(C)C1CC(OCC(C)C2CCCS2(=O)=O)CN1
InChIInChI=1S/C14H27NO3S/c1-10(2)13-7-12(8-15-13)18-9-11(3)14-5-4-6-19(14,16)17/h10-15H,4-9H2,1-3H3
InChIKeyFXCVTDWIUQSFNJ-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide?
The IUPAC name of 2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide (CID 134402281) is 2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide is CC(C)C1CC(OCC(C)C2CCCS2(=O)=O)CN1.
What is the InChIKey of 2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide?
The InChIKey is FXCVTDWIUQSFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-10(2)13-7-12(8-15-13)18-9-11(3)14-5-4-6-19(14,16)17/h10-15H,4-9H2,1-3H3.
What are the key properties of 2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide?
2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide has a molecular weight of 289.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 134402281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).