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

C14H24N2O2S — CID 62008652

IUPACN-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-14(6-2,11-15)16(4)19(17,18)13-9-7-12(3)8-10-13/h7-10H,5-6,11,15H2,1-4H3
InChIKeyWEZKCNPCNJWHAF-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.13
Rot. Bonds6

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

N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide (PubChem CID 62008652) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide
PubChem CID62008652
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-14(6-2,11-15)16(4)19(17,18)13-9-7-12(3)8-10-13/h7-10H,5-6,11,15H2,1-4H3
InChIKeyWEZKCNPCNJWHAF-UHFFFAOYSA-N
XLogP2.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 28798833
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide
CID 63687287
1-butyl-1-(4-methylphenyl)sulfonylurea
CID 54549158
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide
CID 62008236
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 63764894
3-ethylpentan-3-amine;4-methylbenzenesulfonic acid
CID 173307158
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide (CID 62008652) is N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is WEZKCNPCNJWHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-14(6-2,11-15)16(4)19(17,18)13-9-7-12(3)8-10-13/h7-10H,5-6,11,15H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 62008652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).