2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide

C10H23N3O4S — CID 54989143

IUPAC2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)CCCCN
InChIInChI=1S/C10H23N3O4S/c1-13(9-10(14)12-6-7-17-2)18(15,16)8-4-3-5-11/h3-9,11H2,1-2H3,(H,12,14)
InChIKeyNLEMQGZKKXFXPJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP-1.25
Rot. Bonds10

About 2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide

2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 54989143) has the molecular formula C10H23N3O4S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID54989143
Molecular FormulaC10H23N3O4S
Molecular Weight281.38 g/mol
Exact Mass281.14
IUPAC Name2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)CCCCN
InChIInChI=1S/C10H23N3O4S/c1-13(9-10(14)12-6-7-17-2)18(15,16)8-4-3-5-11/h3-9,11H2,1-2H3,(H,12,14)
InChIKeyNLEMQGZKKXFXPJ-UHFFFAOYSA-N
XLogP-1.25
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 5-1.25
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide (CID 54989143) is 2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)S(=O)(=O)CCCCN.
What is the InChIKey of 2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is NLEMQGZKKXFXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O4S/c1-13(9-10(14)12-6-7-17-2)18(15,16)8-4-3-5-11/h3-9,11H2,1-2H3,(H,12,14).
What are the key properties of 2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 281.38 g/mol, XLogP of -1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54989143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).