N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide

C11H23NO3S — CID 106244959

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H23NO3S/c1-4-6-15-7-5-10(13)12-8-11(2,14)9-16-3/h14H,4-9H2,1-3H3,(H,12,13)
InChIKeyMPCIXKYEIAOCCA-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.03
Rot. Bonds9

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide (PubChem CID 106244959) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide
PubChem CID106244959
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H23NO3S/c1-4-6-15-7-5-10(13)12-8-11(2,14)9-16-3/h14H,4-9H2,1-3H3,(H,12,13)
InChIKeyMPCIXKYEIAOCCA-UHFFFAOYSA-N
XLogP1.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
CID 103522093
2-ethoxy-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787169
3-ethoxy-N-(2-methylsulfanylethyl)propanamide
CID 58089205
N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide
CID 123735543
3-methylsulfanyl-N-[2-(3-oxobutoxy)ethyl]propanamide
CID 126752579
N-(3-ethoxy-3-methylbutyl)-3-methylsulfanylpropanamide
CID 134502033
N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide
CID 139518878
3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide
CID 174338982
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109716
N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
CID 65109854
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide
CID 65109966

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide (CID 106244959) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide is CCCOCCC(=O)NCC(C)(O)CSC.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide?
The InChIKey is MPCIXKYEIAOCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-6-15-7-5-10(13)12-8-11(2,14)9-16-3/h14H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-propoxypropanamide has a molecular weight of 249.38 g/mol, XLogP of 1.03, 9 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)-3-propoxypropanamide is sourced from PubChem (CID 106244959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).