4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide

C14H24N2O2S — CID 106919163

IUPAC4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C(C)C(C)C)ccc1CN
InChIInChI=1S/C14H24N2O2S/c1-10(2)12(4)16(5)19(17,18)14-7-6-13(9-15)11(3)8-14/h6-8,10,12H,9,15H2,1-5H3
InChIKeyCOZWNEFAMXQVRG-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.12
Rot. Bonds5

About 4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide

4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106919163) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID106919163
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C(C)C(C)C)ccc1CN
InChIInChI=1S/C14H24N2O2S/c1-10(2)12(4)16(5)19(17,18)14-7-6-13(9-15)11(3)8-14/h6-8,10,12H,9,15H2,1-5H3
InChIKeyCOZWNEFAMXQVRG-UHFFFAOYSA-N
XLogP2.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106919184
4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113
4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 106919334
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406
3-amino-4-chloro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569761
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-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 106919095
4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106919384
3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569766
4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 113370372
3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257148

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 106919163) is 4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C(C)C(C)C)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is COZWNEFAMXQVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10(2)12(4)16(5)19(17,18)14-7-6-13(9-15)11(3)8-14/h6-8,10,12H,9,15H2,1-5H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106919163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).