5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide

C14H24N2O3S — CID 106331881

IUPAC5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cc(CN)ccc1OC
InChIInChI=1S/C14H24N2O3S/c1-5-14(3,6-2)16-20(17,18)13-9-11(10-15)7-8-12(13)19-4/h7-9,16H,5-6,10,15H2,1-4H3
InChIKeyBLUXOOHCMBWMHH-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.01
Rot. Bonds7

About 5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide

5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106331881) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106331881
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cc(CN)ccc1OC
InChIInChI=1S/C14H24N2O3S/c1-5-14(3,6-2)16-20(17,18)13-9-11(10-15)7-8-12(13)19-4/h7-9,16H,5-6,10,15H2,1-4H3
InChIKeyBLUXOOHCMBWMHH-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
CID 106091059
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 64556227
5-(aminomethyl)-2,3-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331812
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
CID 64557804
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068431
5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
CID 106084299
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 106331881) is 5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1cc(CN)ccc1OC.
What is the InChIKey of 5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is BLUXOOHCMBWMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-14(3,6-2)16-20(17,18)13-9-11(10-15)7-8-12(13)19-4/h7-9,16H,5-6,10,15H2,1-4H3.
What are the key properties of 5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide?
5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106331881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).