3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide

C14H24N2O2S — CID 43579029

IUPAC3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C14H24N2O2S/c1-11(2)7-8-12(3)16-19(17,18)14-6-4-5-13(9-14)10-15/h4-6,9,11-12,16H,7-8,10,15H2,1-3H3
InChIKeyCTOGDLFQAALLFA-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.25
Rot. Bonds7

About 3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide

3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide (PubChem CID 43579029) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
PubChem CID43579029
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C14H24N2O2S/c1-11(2)7-8-12(3)16-19(17,18)14-6-4-5-13(9-14)10-15/h4-6,9,11-12,16H,7-8,10,15H2,1-3H3
InChIKeyCTOGDLFQAALLFA-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

3-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631807
3-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 63926914
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61482582
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide
CID 60857993
4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 115330116
N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046653
4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 106996805
3-(aminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082233

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide (CID 43579029) is 3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide is CC(C)CCC(C)NS(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide?
The InChIKey is CTOGDLFQAALLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)7-8-12(3)16-19(17,18)14-6-4-5-13(9-14)10-15/h4-6,9,11-12,16H,7-8,10,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide?
3-(aminomethyl)-N-(5-methylhexan-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 3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43579029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).