N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide

C13H22N2O2S — CID 43606579

IUPACN-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
SMILESCCNCCCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H22N2O2S/c1-4-14-8-5-9-15-18(16,17)13-10-11(2)6-7-12(13)3/h6-7,10,14-15H,4-5,8-9H2,1-3H3
InChIKeyNOGNMSGIUIDEFE-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.58
Rot. Bonds7

About N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide

N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 43606579) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
PubChem CID43606579
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
SMILESCCNCCCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H22N2O2S/c1-4-14-8-5-9-15-18(16,17)13-10-11(2)6-7-12(13)3/h6-7,10,14-15H,4-5,8-9H2,1-3H3
InChIKeyNOGNMSGIUIDEFE-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
N-[3-(2-aminoethoxy)propyl]-2,5-dimethylbenzenesulfonamide
CID 106308141
N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine
CID 117036341
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide (CID 43606579) is N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide is CCNCCCNS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is NOGNMSGIUIDEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-14-8-5-9-15-18(16,17)13-10-11(2)6-7-12(13)3/h6-7,10,14-15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide?
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43606579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).