2-butoxyethyl 2-thiomorpholin-3-ylacetate

C12H23NO3S — CID 66445089

IUPAC2-butoxyethyl 2-thiomorpholin-3-ylacetate
SMILESCCCCOCCOC(=O)CC1CSCCN1
InChIInChI=1S/C12H23NO3S/c1-2-3-5-15-6-7-16-12(14)9-11-10-17-8-4-13-11/h11,13H,2-10H2,1H3
InChIKeyFYLACFNTHIBKSK-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.44
Rot. Bonds8

About 2-butoxyethyl 2-thiomorpholin-3-ylacetate

2-butoxyethyl 2-thiomorpholin-3-ylacetate (PubChem CID 66445089) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-butoxyethyl 2-thiomorpholin-3-ylacetate.

Molecular Properties

Compound Name2-butoxyethyl 2-thiomorpholin-3-ylacetate
PubChem CID66445089
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-butoxyethyl 2-thiomorpholin-3-ylacetate
SMILESCCCCOCCOC(=O)CC1CSCCN1
InChIInChI=1S/C12H23NO3S/c1-2-3-5-15-6-7-16-12(14)9-11-10-17-8-4-13-11/h11,13H,2-10H2,1H3
InChIKeyFYLACFNTHIBKSK-UHFFFAOYSA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]ethyl 2-thiomorpholin-3-ylacetate
CID 112588232
cyclopropylmethyl 2-thiomorpholin-3-ylacetate
CID 66445671
3-phenylpropyl 2-thiomorpholin-3-ylacetate
CID 66443916
1-thiomorpholin-3-ylnonan-2-one
CID 116586482
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
cyclopentyl 2-thiomorpholin-3-ylacetate
CID 66445864
2-ethoxyethyl thiomorpholine-3-carboxylate
CID 82904613
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
2-(2-butoxyethoxy)ethyl 2-chloroacetate
CID 13259947

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-thiomorpholin-3-ylacetate?
The IUPAC name of 2-butoxyethyl 2-thiomorpholin-3-ylacetate (CID 66445089) is 2-butoxyethyl 2-thiomorpholin-3-ylacetate.
What is the SMILES notation for 2-butoxyethyl 2-thiomorpholin-3-ylacetate?
The canonical SMILES for 2-butoxyethyl 2-thiomorpholin-3-ylacetate is CCCCOCCOC(=O)CC1CSCCN1.
What is the InChIKey of 2-butoxyethyl 2-thiomorpholin-3-ylacetate?
The InChIKey is FYLACFNTHIBKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-2-3-5-15-6-7-16-12(14)9-11-10-17-8-4-13-11/h11,13H,2-10H2,1H3.
What are the key properties of 2-butoxyethyl 2-thiomorpholin-3-ylacetate?
2-butoxyethyl 2-thiomorpholin-3-ylacetate has a molecular weight of 261.39 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2-thiomorpholin-3-ylacetate is sourced from PubChem (CID 66445089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).