2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide

C8H18N2O4S — CID 79472829

IUPAC2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide
SMILESCS(=O)(=O)CCCNC(=O)COCCN
InChIInChI=1S/C8H18N2O4S/c1-15(12,13)6-2-4-10-8(11)7-14-5-3-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyGPTHBUSSRDXLQZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP-1.49
Rot. Bonds8

About 2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide

2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide (PubChem CID 79472829) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide
PubChem CID79472829
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide
SMILESCS(=O)(=O)CCCNC(=O)COCCN
InChIInChI=1S/C8H18N2O4S/c1-15(12,13)6-2-4-10-8(11)7-14-5-3-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyGPTHBUSSRDXLQZ-UHFFFAOYSA-N
XLogP-1.49
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.49
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

2-(2-aminoethoxy)-N-butylacetamide
CID 62343440
2-methoxy-N-(3-methylsulfonylpropyl)acetamide
CID 61149401
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
7-amino-N-(3-methylsulfonylpropyl)heptanamide
CID 54904867
5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
CID 79479657
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
2-chloro-N-(3-methylsulfonylpropyl)acetamide
CID 61019975
2-(2-aminoethoxy)-N-ethylacetamide
CID 62343422
2-(2-aminoethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 79464083
2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-ethylacetamide
CID 123400101

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide (CID 79472829) is 2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide is CS(=O)(=O)CCCNC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide?
The InChIKey is GPTHBUSSRDXLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-15(12,13)6-2-4-10-8(11)7-14-5-3-9/h2-7,9H2,1H3,(H,10,11).
What are the key properties of 2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide?
2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide has a molecular weight of 238.31 g/mol, XLogP of -1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide is sourced from PubChem (CID 79472829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).