N-[4-(3-aminopropyl)phenyl]ethanesulfonamide

C11H18N2O2S — CID 28754709

IUPACN-[4-(3-aminopropyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CCCN)cc1
InChIInChI=1S/C11H18N2O2S/c1-2-16(14,15)13-11-7-5-10(6-8-11)4-3-9-12/h5-8,13H,2-4,9,12H2,1H3
InChIKeyYCGCNCALOFQJSY-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.34
Rot. Bonds6

About N-[4-(3-aminopropyl)phenyl]ethanesulfonamide

N-[4-(3-aminopropyl)phenyl]ethanesulfonamide (PubChem CID 28754709) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[4-(3-aminopropyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-aminopropyl)phenyl]ethanesulfonamide
PubChem CID28754709
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[4-(3-aminopropyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CCCN)cc1
InChIInChI=1S/C11H18N2O2S/c1-2-16(14,15)13-11-7-5-10(6-8-11)4-3-9-12/h5-8,13H,2-4,9,12H2,1H3
InChIKeyYCGCNCALOFQJSY-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-butylphenyl)ethanesulfonamide
CID 43378477
2-amino-N-(4-propylphenyl)ethanesulfonamide
CID 43378670
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide
CID 106029613
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
CID 60944515
N-[4-(2-methylpropyl)phenyl]ethanesulfonamide
CID 110776672
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
CID 104684256
N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 3668419
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(3-aminopropyl)phenyl]ethanesulfonamide (CID 28754709) is N-[4-(3-aminopropyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(3-aminopropyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(3-aminopropyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(CCCN)cc1.
What is the InChIKey of N-[4-(3-aminopropyl)phenyl]ethanesulfonamide?
The InChIKey is YCGCNCALOFQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-16(14,15)13-11-7-5-10(6-8-11)4-3-9-12/h5-8,13H,2-4,9,12H2,1H3.
What are the key properties of N-[4-(3-aminopropyl)phenyl]ethanesulfonamide?
N-[4-(3-aminopropyl)phenyl]ethanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 28754709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).