4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide

C11H18N2O2S — CID 106919113

IUPAC4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C11H18N2O2S/c1-4-13(3)16(14,15)11-6-5-10(8-12)9(2)7-11/h5-7H,4,8,12H2,1-3H3
InChIKeyCKKSVMMVERDSRR-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.09
Rot. Bonds4

About 4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide

4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide (PubChem CID 106919113) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
PubChem CID106919113
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C11H18N2O2S/c1-4-13(3)16(14,15)11-6-5-10(8-12)9(2)7-11/h5-7H,4,8,12H2,1-3H3
InChIKeyCKKSVMMVERDSRR-UHFFFAOYSA-N
XLogP1.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106919156
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106919187
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406
4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106919163
4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106919384
4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106919184
4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 106919334
4-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbenzenesulfonamide
CID 106919444
4-(aminomethyl)-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106919443
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020
4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 106919095
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
CID 106919288

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide (CID 106919113) is 4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide is CCN(C)S(=O)(=O)c1ccc(CN)c(C)c1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide?
The InChIKey is CKKSVMMVERDSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-13(3)16(14,15)11-6-5-10(8-12)9(2)7-11/h5-7H,4,8,12H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide?
4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 106919113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).