2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide

C14H23N3O3S — CID 106244439

IUPAC2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide
SMILESCOCC(N)CCNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H23N3O3S/c1-20-10-11(15)8-9-16-13-4-2-3-5-14(13)21(18,19)17-12-6-7-12/h2-5,11-12,16-17H,6-10,15H2,1H3
InChIKeyOXILOGFCTQAUIC-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.90
Rot. Bonds9

About 2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide

2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide (PubChem CID 106244439) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide
PubChem CID106244439
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide
SMILESCOCC(N)CCNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H23N3O3S/c1-20-10-11(15)8-9-16-13-4-2-3-5-14(13)21(18,19)17-12-6-7-12/h2-5,11-12,16-17H,6-10,15H2,1H3
InChIKeyOXILOGFCTQAUIC-UHFFFAOYSA-N
XLogP0.90
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786
2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate
CID 83204510
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 63925494
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide (CID 106244439) is 2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide is COCC(N)CCNc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide?
The InChIKey is OXILOGFCTQAUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-20-10-11(15)8-9-16-13-4-2-3-5-14(13)21(18,19)17-12-6-7-12/h2-5,11-12,16-17H,6-10,15H2,1H3.
What are the key properties of 2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide?
2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.90, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 106244439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).