2-pentoxy-N-(thietan-3-yl)acetamide

C10H19NO2S — CID 126832129

IUPAC2-pentoxy-N-(thietan-3-yl)acetamide
SMILESCCCCCOCC(=O)NC1CSC1
InChIInChI=1S/C10H19NO2S/c1-2-3-4-5-13-6-10(12)11-9-7-14-8-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyUPJPHXCPUWXAAO-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.42
Rot. Bonds7

About 2-pentoxy-N-(thietan-3-yl)acetamide

2-pentoxy-N-(thietan-3-yl)acetamide (PubChem CID 126832129) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-pentoxy-N-(thietan-3-yl)acetamide.

Molecular Properties

Compound Name2-pentoxy-N-(thietan-3-yl)acetamide
PubChem CID126832129
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-pentoxy-N-(thietan-3-yl)acetamide
SMILESCCCCCOCC(=O)NC1CSC1
InChIInChI=1S/C10H19NO2S/c1-2-3-4-5-13-6-10(12)11-9-7-14-8-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyUPJPHXCPUWXAAO-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-2-pentoxyacetamide
CID 119474713
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
CID 86838704
2-decoxy-N-sulfanylacetamide
CID 150404301
2-(2-aminoethoxy)-N-(thian-3-yl)acetamide
CID 115740727
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2-butoxyacetamide
CID 70763374
N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride
CID 119639970
N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
CID 119619329
2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide
CID 59126084
N-(2-amino-1-cyclopropylethyl)-2-pentoxyacetamide
CID 119613092
2-decoxy-N-(1-hydroxyethyl)acetamide
CID 88812152
N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride
CID 119589204

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-N-(thietan-3-yl)acetamide?
The IUPAC name of 2-pentoxy-N-(thietan-3-yl)acetamide (CID 126832129) is 2-pentoxy-N-(thietan-3-yl)acetamide.
What is the SMILES notation for 2-pentoxy-N-(thietan-3-yl)acetamide?
The canonical SMILES for 2-pentoxy-N-(thietan-3-yl)acetamide is CCCCCOCC(=O)NC1CSC1.
What is the InChIKey of 2-pentoxy-N-(thietan-3-yl)acetamide?
The InChIKey is UPJPHXCPUWXAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-2-3-4-5-13-6-10(12)11-9-7-14-8-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of 2-pentoxy-N-(thietan-3-yl)acetamide?
2-pentoxy-N-(thietan-3-yl)acetamide has a molecular weight of 217.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-N-(thietan-3-yl)acetamide is sourced from PubChem (CID 126832129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).