5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide

C14H22N2O3S — CID 62856750

IUPAC5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(C)CC1CCC1
InChIInChI=1S/C14H22N2O3S/c1-3-19-13-8-7-12(15)9-14(13)20(17,18)16(2)10-11-5-4-6-11/h7-9,11H,3-6,10,15H2,1-2H3
InChIKeyBAUYPRMIFNMVNG-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.09
Rot. Bonds6

About 5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide

5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide (PubChem CID 62856750) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
PubChem CID62856750
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(C)CC1CCC1
InChIInChI=1S/C14H22N2O3S/c1-3-19-13-8-7-12(15)9-14(13)20(17,18)16(2)10-11-5-4-6-11/h7-9,11H,3-6,10,15H2,1-2H3
InChIKeyBAUYPRMIFNMVNG-UHFFFAOYSA-N
XLogP2.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61436327
methyl 4-amino-2-[cyclobutylmethyl(methyl)sulfamoyl]benzoate
CID 102931206
5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428184
5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43663017
5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61428651
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
CID 62861106
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384
5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
CID 102945989
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 55125659
5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879827
2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62856614

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide (CID 62856750) is 5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)N(C)CC1CCC1.
What is the InChIKey of 5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide?
The InChIKey is BAUYPRMIFNMVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-19-13-8-7-12(15)9-14(13)20(17,18)16(2)10-11-5-4-6-11/h7-9,11H,3-6,10,15H2,1-2H3.
What are the key properties of 5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide?
5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 62856750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).