4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide

C14H22N2O2S — CID 106997153

IUPAC4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NC(C)C1CCC1
InChIInChI=1S/C14H22N2O2S/c1-10-8-12(9-15)6-7-14(10)19(17,18)16-11(2)13-4-3-5-13/h6-8,11,13,16H,3-5,9,15H2,1-2H3
InChIKeyYRKVUSDWCWBNRK-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.92
Rot. Bonds5

About 4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide

4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide (PubChem CID 106997153) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
PubChem CID106997153
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NC(C)C1CCC1
InChIInChI=1S/C14H22N2O2S/c1-10-8-12(9-15)6-7-14(10)19(17,18)16-11(2)13-4-3-5-13/h6-8,11,13,16H,3-5,9,15H2,1-2H3
InChIKeyYRKVUSDWCWBNRK-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-cyclohexylethyl)-2-methylbenzenesulfonamide
CID 106996908
4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
CID 114134360
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036
5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106066144
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
CID 84843581
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide
CID 106084795
4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 106996805

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide (CID 106997153) is 4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)NC(C)C1CCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide?
The InChIKey is YRKVUSDWCWBNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-8-12(9-15)6-7-14(10)19(17,18)16-11(2)13-4-3-5-13/h6-8,11,13,16H,3-5,9,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide?
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106997153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).