N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide

C15H26N2O2S — CID 60873037

IUPACN,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
SMILESCCNC(CC)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C15H26N2O2S/c1-5-15(16-6-2)13-10-9-11-14(12-13)20(18,19)17(7-3)8-4/h9-12,15-16H,5-8H2,1-4H3
InChIKeyRYSBPJWNYBEKSV-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.78
Rot. Bonds8

About N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide

N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide (PubChem CID 60873037) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
PubChem CID60873037
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
SMILESCCNC(CC)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C15H26N2O2S/c1-5-15(16-6-2)13-10-9-11-14(12-13)20(18,19)17(7-3)8-4/h9-12,15-16H,5-8H2,1-4H3
InChIKeyRYSBPJWNYBEKSV-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide
CID 113232614
N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60872842
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate
CID 60871696
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
CID 60872840
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115846387
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115782739
3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563188
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696
N-ethyl-4-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115834610
N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 81036858

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide (CID 60873037) is N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide is CCNC(CC)c1cccc(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide?
The InChIKey is RYSBPJWNYBEKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-15(16-6-2)13-10-9-11-14(12-13)20(18,19)17(7-3)8-4/h9-12,15-16H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide?
N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 60873037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).