N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide

C13H25NO3S — CID 114163351

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCSCC(C)(O)CNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C13H25NO3S/c1-8-9(2)17-10(3)11(8)12(15)14-6-13(4,16)7-18-5/h8-11,16H,6-7H2,1-5H3,(H,14,15)
InChIKeyAAWFFVALXOCHGK-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.28
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 114163351) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID114163351
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCSCC(C)(O)CNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C13H25NO3S/c1-8-9(2)17-10(3)11(8)12(15)14-6-13(4,16)7-18-5/h8-11,16H,6-7H2,1-5H3,(H,14,15)
InChIKeyAAWFFVALXOCHGK-UHFFFAOYSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 114163351) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide is CSCC(C)(O)CNC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is AAWFFVALXOCHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-8-9(2)17-10(3)11(8)12(15)14-6-13(4,16)7-18-5/h8-11,16H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 275.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 114163351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).