2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide

C9H21N3O4S — CID 54988903

IUPAC2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)CCCN
InChIInChI=1S/C9H21N3O4S/c1-12(17(14,15)7-3-4-10)8-9(13)11-5-6-16-2/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyOSJBSVHELKQIEB-UHFFFAOYSA-N
MW267.35 g/mol
LogP-1.64
Rot. Bonds9

About 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide

2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 54988903) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID54988903
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)CCCN
InChIInChI=1S/C9H21N3O4S/c1-12(17(14,15)7-3-4-10)8-9(13)11-5-6-16-2/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyOSJBSVHELKQIEB-UHFFFAOYSA-N
XLogP-1.64
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)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

N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide
CID 54324097
3-(propanoylsulfamoyl)-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 57740859
2-morpholin-4-yl-N-propan-2-ylsulfonylacetamide
CID 71049255
N-[2-(2-ethoxyethoxy)ethyl]-3-(methylsulfamoyl)propanamide
CID 90428996
N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane
CID 142083460
ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen
CID 145385419
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
CID 155189257
N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide
CID 155455154
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]acetamide
CID 155455170
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen
CID 155750770
[2-Amino-1-(2-aminoethylamino)-2-oxoethyl] butane-1-sulfonate
CID 156476749
N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide
CID 159189227

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide (CID 54988903) is 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)S(=O)(=O)CCCN.
What is the InChIKey of 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is OSJBSVHELKQIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-12(17(14,15)7-3-4-10)8-9(13)11-5-6-16-2/h3-8,10H2,1-2H3,(H,11,13).
What are the key properties of 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 267.35 g/mol, XLogP of -1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54988903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).