N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide

C14H24N2O2S — CID 61124942

IUPACN-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-14(6-2,10-15)16-19(17,18)13-8-7-11(3)12(4)9-13/h7-9,16H,5-6,10,15H2,1-4H3
InChIKeyHKTGYDLLUUMPAF-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.10
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 61124942) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID61124942
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-14(6-2,10-15)16-19(17,18)13-8-7-11(3)12(4)9-13/h7-9,16H,5-6,10,15H2,1-4H3
InChIKeyHKTGYDLLUUMPAF-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide
CID 63888193
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119981261
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769
N-[3-(aminomethyl)pentan-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 63888398
N-[3-(aminomethyl)pentan-3-yl]-3-iodobenzenesulfonamide
CID 119981566
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119981274
2-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbutanethioamide
CID 61124872
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
CID 120710324

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide (CID 61124942) is N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide is CCC(CC)(CN)NS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is HKTGYDLLUUMPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-14(6-2,10-15)16-19(17,18)13-8-7-11(3)12(4)9-13/h7-9,16H,5-6,10,15H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 61124942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).