3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide

C14H24N2O2S — CID 60857993

IUPAC3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)CCC(C)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H24N2O2S/c1-11(2)7-8-12(3)16-10-13-5-4-6-14(9-13)19(15,17)18/h4-6,9,11-12,16H,7-8,10H2,1-3H3,(H2,15,17,18)
InChIKeyIDZBPJJHPRLGQX-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.25
Rot. Bonds7

About 3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide

3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 60857993) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide
PubChem CID60857993
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)CCC(C)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H24N2O2S/c1-11(2)7-8-12(3)16-10-13-5-4-6-14(9-13)19(15,17)18/h4-6,9,11-12,16H,7-8,10H2,1-3H3,(H2,15,17,18)
InChIKeyIDZBPJJHPRLGQX-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-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
N-benzyl-5-methylhexan-2-amine
CID 43177530
3-(2-aminopropyl)benzenesulfonamide
CID 72637077
3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43579029
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide
CID 60859792
3-[(2-phenylpropylamino)methyl]benzenesulfonamide
CID 60858820
2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 62638953
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 104684174
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide (CID 60857993) is 3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide is CC(C)CCC(C)NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is IDZBPJJHPRLGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)7-8-12(3)16-10-13-5-4-6-14(9-13)19(15,17)18/h4-6,9,11-12,16H,7-8,10H2,1-3H3,(H2,15,17,18).
What are the key properties of 3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide?
3-[(5-methylhexan-2-ylamino)methyl]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-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 60857993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).