4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide

C8H21N3O4S2 — CID 106335894

IUPAC4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)CCCCN
InChIInChI=1S/C8H21N3O4S2/c1-2-10-17(14,15)8-6-11-16(12,13)7-4-3-5-9/h10-11H,2-9H2,1H3
InChIKeyOLXOPRDMFLLVDO-UHFFFAOYSA-N
MW287.41 g/mol
LogP-1.42
Rot. Bonds10

About 4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide

4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide (PubChem CID 106335894) has the molecular formula C8H21N3O4S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide
PubChem CID106335894
Molecular FormulaC8H21N3O4S2
Molecular Weight287.41 g/mol
Exact Mass287.10
IUPAC Name4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)CCCCN
InChIInChI=1S/C8H21N3O4S2/c1-2-10-17(14,15)8-6-11-16(12,13)7-4-3-5-9/h10-11H,2-9H2,1H3
InChIKeyOLXOPRDMFLLVDO-UHFFFAOYSA-N
XLogP-1.42
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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4-bromo-N-ethylbutane-1-sulfonamide
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2-(4-aminobutylsulfonylamino)ethylurea
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N-(2-sulfamoylethyl)butane-1-sulfonamide
CID 61131734
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide
CID 89353242
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide
CID 64682841
4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide
CID 114124982
4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide
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N-ethyl-4-methylpentane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide (CID 106335894) is 4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide is CCNS(=O)(=O)CCNS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide?
The InChIKey is OLXOPRDMFLLVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O4S2/c1-2-10-17(14,15)8-6-11-16(12,13)7-4-3-5-9/h10-11H,2-9H2,1H3.
What are the key properties of 4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide?
4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide has a molecular weight of 287.41 g/mol, XLogP of -1.42, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 106335894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).