5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

C15H29NO4S — CID 170413861

IUPAC5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCOC1(C(C)CC2CCN(C(C)C)S2(=O)=O)CCOCC1
InChIInChI=1S/C15H29NO4S/c1-12(2)16-8-5-14(21(16,17)18)11-13(3)15(19-4)6-9-20-10-7-15/h12-14H,5-11H2,1-4H3
InChIKeyLRBFZSIUOSLWPJ-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.02
Rot. Bonds5

About 5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide

5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 170413861) has the molecular formula C15H29NO4S and a molecular weight of 319.47 g/mol. Its IUPAC name is 5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID170413861
Molecular FormulaC15H29NO4S
Molecular Weight319.47 g/mol
Exact Mass319.18
IUPAC Name5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCOC1(C(C)CC2CCN(C(C)C)S2(=O)=O)CCOCC1
InChIInChI=1S/C15H29NO4S/c1-12(2)16-8-5-14(21(16,17)18)11-13(3)15(19-4)6-9-20-10-7-15/h12-14H,5-11H2,1-4H3
InChIKeyLRBFZSIUOSLWPJ-UHFFFAOYSA-N
XLogP2.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide (CID 170413861) is 5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is COC1(C(C)CC2CCN(C(C)C)S2(=O)=O)CCOCC1.
What is the InChIKey of 5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LRBFZSIUOSLWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4S/c1-12(2)16-8-5-14(21(16,17)18)11-13(3)15(19-4)6-9-20-10-7-15/h12-14H,5-11H2,1-4H3.
What are the key properties of 5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 319.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 170413861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).