N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide

C9H19NO3S — CID 115283379

IUPACN-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)NC(C)CCO
InChIInChI=1S/C9H19NO3S/c1-8(3-4-11)10-9(12)7-14-6-5-13-2/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyNJGALAGXGUODBF-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.25
Rot. Bonds8

About N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide

N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 115283379) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID115283379
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)NC(C)CCO
InChIInChI=1S/C9H19NO3S/c1-8(3-4-11)10-9(12)7-14-6-5-13-2/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyNJGALAGXGUODBF-UHFFFAOYSA-N
XLogP0.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.25
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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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide (CID 115283379) is N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide is COCCSCC(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is NJGALAGXGUODBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(3-4-11)10-9(12)7-14-6-5-13-2/h8,11H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide?
N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 221.32 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 115283379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).