4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide

C14H22N2O2S — CID 62854746

IUPAC4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O2S/c1-16(11-13-3-2-4-13)19(17,18)14-7-5-12(6-8-14)9-10-15/h5-8,13H,2-4,9-11,15H2,1H3
InChIKeyFSEOCIWAMUBMKA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.61
Rot. Bonds6

About 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide

4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide (PubChem CID 62854746) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
PubChem CID62854746
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O2S/c1-16(11-13-3-2-4-13)19(17,18)14-7-5-12(6-8-14)9-10-15/h5-8,13H,2-4,9-11,15H2,1H3
InChIKeyFSEOCIWAMUBMKA-UHFFFAOYSA-N
XLogP1.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 55248102
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
4-(2-aminoethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63208977
N-(cyclopropylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 60985675
4-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 65481628
2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62856614
2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
CID 62860390
4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
CID 60952032
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408
5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614470
4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107402746

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide (CID 62854746) is 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide is CN(CC1CCC1)S(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is FSEOCIWAMUBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-16(11-13-3-2-4-13)19(17,18)14-7-5-12(6-8-14)9-10-15/h5-8,13H,2-4,9-11,15H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide?
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62854746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).