2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide

C10H21N3O4S — CID 79473115

IUPAC2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)COCCN)CC1
InChIInChI=1S/C10H21N3O4S/c1-18(15,16)13-5-2-9(3-6-13)12-10(14)8-17-7-4-11/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyVTLBMDOTCHULCP-UHFFFAOYSA-N
MW279.36 g/mol
LogP-1.50
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide

2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 79473115) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID79473115
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)COCCN)CC1
InChIInChI=1S/C10H21N3O4S/c1-18(15,16)13-5-2-9(3-6-13)12-10(14)8-17-7-4-11/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyVTLBMDOTCHULCP-UHFFFAOYSA-N
XLogP-1.50
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 79473987
2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110714979
3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 106111386
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide
CID 112701787
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
2-(2-aminoethoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 103810783
2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 108559995
N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 79473160
2-(2-aminoethoxy)-N-(thian-3-yl)acetamide
CID 115740727
2-[[2-(2-aminoethoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 79473534

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 79473115) is 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is CS(=O)(=O)N1CCC(NC(=O)COCCN)CC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is VTLBMDOTCHULCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-18(15,16)13-5-2-9(3-6-13)12-10(14)8-17-7-4-11/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 279.36 g/mol, XLogP of -1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 79473115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).