3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide

C14H22N2O2S — CID 62860940

IUPAC3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC2CCC2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-3-12-7-8-13(9-14(12)15)19(17,18)16(2)10-11-5-4-6-11/h7-9,11H,3-6,10,15H2,1-2H3
InChIKeyAPKGUMYKBVIMKG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.25
Rot. Bonds5

About 3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide

3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide (PubChem CID 62860940) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
PubChem CID62860940
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC2CCC2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-3-12-7-8-13(9-14(12)15)19(17,18)16(2)10-11-5-4-6-11/h7-9,11H,3-6,10,15H2,1-2H3
InChIKeyAPKGUMYKBVIMKG-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 82846072
2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62856614
3-chloro-N-(cyclopentylmethyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090781
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 62854746
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
methyl 2-[(3-amino-4-ethylphenyl)sulfonyl-methylamino]acetate
CID 43258543
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140381
N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 55248102
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide (CID 62860940) is 3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)CC2CCC2)cc1N.
What is the InChIKey of 3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide?
The InChIKey is APKGUMYKBVIMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-12-7-8-13(9-14(12)15)19(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 3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide?
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 62860940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).