N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide

C15H27N3O2S — CID 60872842

IUPACN-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide
SMILESCCNC(CC)c1cccc(S(=O)(=O)NCCN(C)C)c1
InChIInChI=1S/C15H27N3O2S/c1-5-15(16-6-2)13-8-7-9-14(12-13)21(19,20)17-10-11-18(3)4/h7-9,12,15-17H,5-6,10-11H2,1-4H3
InChIKeyAJNZUNSSGXNONP-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.59
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide

N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide (PubChem CID 60872842) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide
PubChem CID60872842
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide
SMILESCCNC(CC)c1cccc(S(=O)(=O)NCCN(C)C)c1
InChIInChI=1S/C15H27N3O2S/c1-5-15(16-6-2)13-8-7-9-14(12-13)21(19,20)17-10-11-18(3)4/h7-9,12,15-17H,5-6,10-11H2,1-4H3
InChIKeyAJNZUNSSGXNONP-UHFFFAOYSA-N
XLogP1.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate
CID 60871696
N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60873037
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563188
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 114138869
N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
CID 60872840
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120664627
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115846387
2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
CID 60873598
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115782739

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide (CID 60872842) is N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide is CCNC(CC)c1cccc(S(=O)(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide?
The InChIKey is AJNZUNSSGXNONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-15(16-6-2)13-8-7-9-14(12-13)21(19,20)17-10-11-18(3)4/h7-9,12,15-17H,5-6,10-11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 60872842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).