4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide

C14H24N2O2S — CID 43507020

IUPAC4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-10(2)11(3)16-19(17,18)14-8-6-13(7-9-14)12(4)15-5/h6-12,15-16H,1-5H3
InChIKeyRZZKEBWJQVSPSN-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.29
Rot. Bonds6

About 4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide

4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 43507020) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID43507020
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-10(2)11(3)16-19(17,18)14-8-6-13(7-9-14)12(4)15-5/h6-12,15-16H,1-5H3
InChIKeyRZZKEBWJQVSPSN-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 43131428
4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 43506825
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43455143
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 21307132
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
4-N-[(2S)-3-methylbutan-2-yl]-1-N-pyridin-4-ylbenzene-1,4-disulfonamide
CID 97309370
N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506803
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629183
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 43507020) is 4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide is CNC(C)c1ccc(S(=O)(=O)NC(C)C(C)C)cc1.
What is the InChIKey of 4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is RZZKEBWJQVSPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10(2)11(3)16-19(17,18)14-8-6-13(7-9-14)12(4)15-5/h6-12,15-16H,1-5H3.
What are the key properties of 4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43507020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).