N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide

C10H21NO3S — CID 43573346

IUPACN-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide
SMILESCOCCSCC(=O)N(CCO)C(C)C
InChIInChI=1S/C10H21NO3S/c1-9(2)11(4-5-12)10(13)8-15-7-6-14-3/h9,12H,4-8H2,1-3H3
InChIKeyBSNDQLYDFANDSC-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.60
Rot. Bonds8

About N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide

N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide (PubChem CID 43573346) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide
PubChem CID43573346
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide
SMILESCOCCSCC(=O)N(CCO)C(C)C
InChIInChI=1S/C10H21NO3S/c1-9(2)11(4-5-12)10(13)8-15-7-6-14-3/h9,12H,4-8H2,1-3H3
InChIKeyBSNDQLYDFANDSC-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide (CID 43573346) is N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide is COCCSCC(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide?
The InChIKey is BSNDQLYDFANDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2)11(4-5-12)10(13)8-15-7-6-14-3/h9,12H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide?
N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide has a molecular weight of 235.35 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43573346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).