N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide

C14H24N2O4S — CID 120710335

IUPACN-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1c(OC)cccc1OC
InChIInChI=1S/C14H24N2O4S/c1-5-14(6-2,10-15)16-21(17,18)13-11(19-3)8-7-9-12(13)20-4/h7-9,16H,5-6,10,15H2,1-4H3
InChIKeyAFGMVBUOJMGCRJ-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.50
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide (PubChem CID 120710335) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide
PubChem CID120710335
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1c(OC)cccc1OC
InChIInChI=1S/C14H24N2O4S/c1-5-14(6-2,10-15)16-21(17,18)13-11(19-3)8-7-9-12(13)20-4/h7-9,16H,5-6,10,15H2,1-4H3
InChIKeyAFGMVBUOJMGCRJ-UHFFFAOYSA-N
XLogP1.50
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710294
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-[3-(aminomethyl)pentan-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 63888398
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119981156
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-5-nitrobenzenesulfonamide;hydrochloride
CID 119981158
N-[3-(aminomethyl)pentan-3-yl]-2-chloro-6-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119981197
N-[3-(aminomethyl)pentan-3-yl]-3-iodobenzenesulfonamide
CID 119981566
methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate
CID 119981396
N-[3-(aminomethyl)pentan-3-yl]-2-chloro-6-nitrobenzenesulfonamide;hydrochloride
CID 119981303
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942
N-[3-(aminomethyl)pentan-3-yl]-3-cyanobenzenesulfonamide;hydrochloride
CID 119981457

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide (CID 120710335) is N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide is CCC(CC)(CN)NS(=O)(=O)c1c(OC)cccc1OC.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide?
The InChIKey is AFGMVBUOJMGCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-14(6-2,10-15)16-21(17,18)13-11(19-3)8-7-9-12(13)20-4/h7-9,16H,5-6,10,15H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2,6-dimethoxybenzenesulfonamide is sourced from PubChem (CID 120710335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).