4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide

C14H24N2O2S — CID 55262110

IUPAC4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-13(5-2)11(3)16-19(17,18)14-8-6-12(10-15)7-9-14/h6-9,11,13,16H,4-5,10,15H2,1-3H3
InChIKeyRACJECHQBPMEIM-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.25
Rot. Bonds7

About 4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide

4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide (PubChem CID 55262110) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
PubChem CID55262110
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-13(5-2)11(3)16-19(17,18)14-8-6-12(10-15)7-9-14/h6-9,11,13,16H,4-5,10,15H2,1-3H3
InChIKeyRACJECHQBPMEIM-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide
CID 63836615
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
CID 63837919
4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631806
3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 63841716
5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141293
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
5-(aminomethyl)-2-bromo-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106063379
4-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzenesulfonamide
CID 63837488
ethyl (2S)-2-[[4-(aminomethyl)phenyl]sulfonylamino]-4-methylpentanoate
CID 54513375

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide (CID 55262110) is 4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide is CCC(CC)C(C)NS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide?
The InChIKey is RACJECHQBPMEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-13(5-2)11(3)16-19(17,18)14-8-6-12(10-15)7-9-14/h6-9,11,13,16H,4-5,10,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide?
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 55262110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).