N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide

C10H21NO4S — CID 103798873

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H21NO4S/c1-8(9(6-12)16-3)11-10(13)7-15-5-4-14-2/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyOXIVJNVQKCCSQX-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.12
Rot. Bonds9

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103798873) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
PubChem CID103798873
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H21NO4S/c1-8(9(6-12)16-3)11-10(13)7-15-5-4-14-2/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyOXIVJNVQKCCSQX-UHFFFAOYSA-N
XLogP-0.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide (CID 103798873) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC(C)C(CO)SC.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is OXIVJNVQKCCSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-8(9(6-12)16-3)11-10(13)7-15-5-4-14-2/h8-9,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 251.35 g/mol, XLogP of -0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103798873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).