N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide

C9H20N2O4S — CID 155455154

IUPACN-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide
SMILESCNCCOCCCS(=O)(=O)N(C)C(C)=O
InChIInChI=1S/C9H20N2O4S/c1-9(12)11(3)16(13,14)8-4-6-15-7-5-10-2/h10H,4-8H2,1-3H3
InChIKeyCCQIOWLEHFWVQX-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.58
Rot. Bonds8

About N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide

N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide (PubChem CID 155455154) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide
PubChem CID155455154
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide
SMILESCNCCOCCCS(=O)(=O)N(C)C(C)=O
InChIInChI=1S/C9H20N2O4S/c1-9(12)11(3)16(13,14)8-4-6-15-7-5-10-2/h10H,4-8H2,1-3H3
InChIKeyCCQIOWLEHFWVQX-UHFFFAOYSA-N
XLogP-0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.58
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

N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide
CID 54324097
3-(propanoylsulfamoyl)-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 57740859
N-[2-(2-ethoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
CID 57740904
3-[2-[2-(2-Acetamidoethoxy)ethoxy]ethyl-(3-sulfonatopropyl)amino]propane-1-sulfonate
CID 58570127
3-[2-(2-Acetamidoethoxy)ethoxy]propane-1-sulfonic acid
CID 58570149
2-(2-Acetamidoethoxy)ethanesulfonate
CID 59247715
N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
CID 59783181
N-[2-(2-ethoxyethoxy)ethyl]-3-(methylsulfamoyl)propanamide
CID 90428996
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
CID 155189257
2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
CID 155402148
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide
CID 155405417
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]acetamide
CID 155455170

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide?
The IUPAC name of N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide (CID 155455154) is N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide is CNCCOCCCS(=O)(=O)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide?
The InChIKey is CCQIOWLEHFWVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-9(12)11(3)16(13,14)8-4-6-15-7-5-10-2/h10H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide?
N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide has a molecular weight of 252.34 g/mol, XLogP of -0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide is sourced from PubChem (CID 155455154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).