3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide

C11H17N3O3S — CID 110839421

IUPAC3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
SMILESNCCC(=O)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C11H17N3O3S/c12-7-5-9-1-3-10(4-2-9)18(16,17)14-11(15)6-8-13/h1-4H,5-8,12-13H2,(H,14,15)
InChIKeyRWSWHNWNCRDALU-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.66
Rot. Bonds6

About 3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide

3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide (PubChem CID 110839421) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
PubChem CID110839421
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
SMILESNCCC(=O)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C11H17N3O3S/c12-7-5-9-1-3-10(4-2-9)18(16,17)14-11(15)6-8-13/h1-4H,5-8,12-13H2,(H,14,15)
InChIKeyRWSWHNWNCRDALU-UHFFFAOYSA-N
XLogP-0.66
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide
CID 110839422
N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide
CID 110839455
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
4-amino-5-[[4-(2-aminoethyl)phenyl]sulfonylamino]-5-oxopentanoic acid
CID 110839428
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
CID 110839438
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
2-amino-N-(4-chlorophenyl)sulfonylacetamide
CID 23501070
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-hexan-3-ylurea
CID 142963691
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide?
The IUPAC name of 3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide (CID 110839421) is 3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for 3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide is NCCC(=O)NS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide?
The InChIKey is RWSWHNWNCRDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-7-5-9-1-3-10(4-2-9)18(16,17)14-11(15)6-8-13/h1-4H,5-8,12-13H2,(H,14,15).
What are the key properties of 3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide?
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide has a molecular weight of 271.34 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 110839421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).