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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Related Compounds

N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 114149321
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106140226
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106244731
4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 106247664
3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114163245
N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152615
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 103681545
N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160276
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-morpholin-2-ylacetamide
CID 106247651
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106247663
1-(2,3-dimethylcyclohexyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437886

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).