N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide

C11H21NO4S — CID 104630676

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H21NO4S/c1-15-6-7-17-8-10(14)12-11(9-13)2-4-16-5-3-11/h13H,2-9H2,1H3,(H,12,14)
InChIKeyLXQWNOIVDRMKGM-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.02
Rot. Bonds7

About N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 104630676) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID104630676
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H21NO4S/c1-15-6-7-17-8-10(14)12-11(9-13)2-4-16-5-3-11/h13H,2-9H2,1H3,(H,12,14)
InChIKeyLXQWNOIVDRMKGM-UHFFFAOYSA-N
XLogP0.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.02
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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Related Compounds

[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybutanamide
CID 115772394
1-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291087
4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222270
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
5-[[4-(hydroxymethyl)oxan-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114169999
N-[4-(chloromethyl)oxan-4-yl]-2-methylsulfanylacetamide
CID 106300644
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide
CID 114170265
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290
2-(2-methoxyethylsulfanyl)acetamide;hydrochloride
CID 88501364
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide (CID 104630676) is N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide is COCCSCC(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is LXQWNOIVDRMKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-15-6-7-17-8-10(14)12-11(9-13)2-4-16-5-3-11/h13H,2-9H2,1H3,(H,12,14).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 263.36 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 104630676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).