2-(2-aminobutylsulfonyl)-N-methylpropanamide

C8H18N2O3S — CID 81194590

IUPAC2-(2-aminobutylsulfonyl)-N-methylpropanamide
SMILESCCC(N)CS(=O)(=O)C(C)C(=O)NC
InChIInChI=1S/C8H18N2O3S/c1-4-7(9)5-14(12,13)6(2)8(11)10-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyIAZLUZXUHCISMA-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.73
Rot. Bonds5

About 2-(2-aminobutylsulfonyl)-N-methylpropanamide

2-(2-aminobutylsulfonyl)-N-methylpropanamide (PubChem CID 81194590) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(2-aminobutylsulfonyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfonyl)-N-methylpropanamide
PubChem CID81194590
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-(2-aminobutylsulfonyl)-N-methylpropanamide
SMILESCCC(N)CS(=O)(=O)C(C)C(=O)NC
InChIInChI=1S/C8H18N2O3S/c1-4-7(9)5-14(12,13)6(2)8(11)10-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyIAZLUZXUHCISMA-UHFFFAOYSA-N
XLogP-0.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminobutylsulfonyl)-N-methylpropanamide 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

2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide
CID 81194284
1-(3-methylbutan-2-ylsulfonyl)butan-2-amine
CID 107759266
(2R)-2-amino-N-methylbutanamide
CID 14888796
N-methyl-2-methylsulfonylpropanamide
CID 54261132
4-amino-N-methylhexanamide
CID 118906510
N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide
CID 107767176
2-(2-aminobutylsulfonyl)-N-pentan-3-ylacetamide
CID 81194128
2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81202396
N,2-dimethyl-3-oxopentanamide
CID 55299421
2-(2-methylbutylsulfonyl)propanoic acid
CID 62105863
N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751658
N',2-dimethylpropanediamide
CID 19785845

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfonyl)-N-methylpropanamide?
The IUPAC name of 2-(2-aminobutylsulfonyl)-N-methylpropanamide (CID 81194590) is 2-(2-aminobutylsulfonyl)-N-methylpropanamide.
What is the SMILES notation for 2-(2-aminobutylsulfonyl)-N-methylpropanamide?
The canonical SMILES for 2-(2-aminobutylsulfonyl)-N-methylpropanamide is CCC(N)CS(=O)(=O)C(C)C(=O)NC.
What is the InChIKey of 2-(2-aminobutylsulfonyl)-N-methylpropanamide?
The InChIKey is IAZLUZXUHCISMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-4-7(9)5-14(12,13)6(2)8(11)10-3/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-(2-aminobutylsulfonyl)-N-methylpropanamide?
2-(2-aminobutylsulfonyl)-N-methylpropanamide has a molecular weight of 222.31 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfonyl)-N-methylpropanamide is sourced from PubChem (CID 81194590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).