N-(3-aminopropyl)-4-ethylbenzenesulfonamide

C11H18N2O2S — CID 28754062

IUPACN-(3-aminopropyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCN)cc1
InChIInChI=1S/C11H18N2O2S/c1-2-10-4-6-11(7-5-10)16(14,15)13-9-3-8-12/h4-7,13H,2-3,8-9,12H2,1H3
InChIKeyHPUZUKDLPSNFEB-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.88
Rot. Bonds6

About N-(3-aminopropyl)-4-ethylbenzenesulfonamide

N-(3-aminopropyl)-4-ethylbenzenesulfonamide (PubChem CID 28754062) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-ethylbenzenesulfonamide
PubChem CID28754062
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(3-aminopropyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCN)cc1
InChIInChI=1S/C11H18N2O2S/c1-2-10-4-6-11(7-5-10)16(14,15)13-9-3-8-12/h4-7,13H,2-3,8-9,12H2,1H3
InChIKeyHPUZUKDLPSNFEB-UHFFFAOYSA-N
XLogP0.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.88
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-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
CID 43598649
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide
CID 90392756
N-(4-aminobutyl)-3-ethylbenzenesulfonamide;hydrochloride
CID 120583777
N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
CID 16890812
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574101
1-N-(3-aminopropyl)-4-N-cyclopropylbenzene-1,4-disulfonamide
CID 119962220

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-ethylbenzenesulfonamide (CID 28754062) is N-(3-aminopropyl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-ethylbenzenesulfonamide?
The InChIKey is HPUZUKDLPSNFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-10-4-6-11(7-5-10)16(14,15)13-9-3-8-12/h4-7,13H,2-3,8-9,12H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-ethylbenzenesulfonamide?
N-(3-aminopropyl)-4-ethylbenzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 28754062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).