N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide

C13H22N2O2S — CID 115752625

IUPACN-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide
SMILESCCCC(N)CNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H22N2O2S/c1-4-5-12(14)9-15-18(16,17)13-8-10(2)6-7-11(13)3/h6-8,12,15H,4-5,9,14H2,1-3H3
InChIKeyRSCZUNVUKATMSF-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.71
Rot. Bonds6

About N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide

N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 115752625) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide
PubChem CID115752625
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide
SMILESCCCC(N)CNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H22N2O2S/c1-4-5-12(14)9-15-18(16,17)13-8-10(2)6-7-11(13)3/h6-8,12,15H,4-5,9,14H2,1-3H3
InChIKeyRSCZUNVUKATMSF-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287
N-(4-hydroxy-2-methylbutyl)-2,5-dimethylbenzenesulfonamide
CID 66108868
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
N-[(2S)-2-aminopentyl]-5-methylthiophene-2-sulfonamide
CID 97238647
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
N-[(2R)-2-aminopentyl]-5-methylthiophene-2-sulfonamide
CID 97238648
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide (CID 115752625) is N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide is CCCC(N)CNS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is RSCZUNVUKATMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-5-12(14)9-15-18(16,17)13-8-10(2)6-7-11(13)3/h6-8,12,15H,4-5,9,14H2,1-3H3.
What are the key properties of N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide?
N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 115752625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).