2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide

C11H25N3O3S — CID 54986338

IUPAC2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)S(=O)(=O)CCCCN
InChIInChI=1S/C11H25N3O3S/c1-4-14(9-11(15)13-10(2)3)18(16,17)8-6-5-7-12/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyXYSUNGNMEFKVEN-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.10
Rot. Bonds9

About 2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide

2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide (PubChem CID 54986338) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide
PubChem CID54986338
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)S(=O)(=O)CCCCN
InChIInChI=1S/C11H25N3O3S/c1-4-14(9-11(15)13-10(2)3)18(16,17)8-6-5-7-12/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyXYSUNGNMEFKVEN-UHFFFAOYSA-N
XLogP-0.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
CID 116815240
N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide
CID 119409036
4-amino-N-butan-2-yl-N-ethylbutane-1-sulfonamide
CID 61456323
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
CID 60948376
3-amino-N-ethyl-N-propylpropane-1-sulfonamide
CID 60910344
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
N-(3-aminopropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594690
2-[[(2S)-2-acetamido-6-aminohexyl]-(2-aminoethylsulfonyl)amino]-N-methylacetamide
CID 166688658
2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127922
2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 42912907

Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide (CID 54986338) is 2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)S(=O)(=O)CCCCN.
What is the InChIKey of 2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is XYSUNGNMEFKVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-4-14(9-11(15)13-10(2)3)18(16,17)8-6-5-7-12/h10H,4-9,12H2,1-3H3,(H,13,15).
What are the key properties of 2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide?
2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 279.41 g/mol, XLogP of -0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 54986338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).