4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide

C15H24N2O2S — CID 107398229

IUPAC4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(CN)cc1C
InChIInChI=1S/C15H24N2O2S/c1-3-17(11-13-5-4-6-13)20(18,19)15-8-7-14(10-16)9-12(15)2/h7-9,13H,3-6,10-11,16H2,1-2H3
InChIKeyUWTODLONQHACIZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds6

About 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide

4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide (PubChem CID 107398229) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
PubChem CID107398229
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(CN)cc1C
InChIInChI=1S/C15H24N2O2S/c1-3-17(11-13-5-4-6-13)20(18,19)15-8-7-14(10-16)9-12(15)2/h7-9,13H,3-6,10-11,16H2,1-2H3
InChIKeyUWTODLONQHACIZ-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875
4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 106996837
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,3-difluorobenzenesulfonamide
CID 107402876
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041
4-(aminomethyl)-N,N-dibutyl-2-methylbenzenesulfonamide
CID 106996655
4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
CID 106996606
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
3-bromo-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107402760
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107396992

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide (CID 107398229) is 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1ccc(CN)cc1C.
What is the InChIKey of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is UWTODLONQHACIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-17(11-13-5-4-6-13)20(18,19)15-8-7-14(10-16)9-12(15)2/h7-9,13H,3-6,10-11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide?
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 107398229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).