2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide

C11H19N3O2S — CID 16782691

IUPAC2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H19N3O2S/c1-14(2)9-5-8-13-17(15,16)11-7-4-3-6-10(11)12/h3-4,6-7,13H,5,8-9,12H2,1-2H3
InChIKeySVCKLTJXNAERTA-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.50
Rot. Bonds6

About 2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide

2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 16782691) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
PubChem CID16782691
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H19N3O2S/c1-14(2)9-5-8-13-17(15,16)11-7-4-3-6-10(11)12/h3-4,6-7,13H,5,8-9,12H2,1-2H3
InChIKeySVCKLTJXNAERTA-UHFFFAOYSA-N
XLogP0.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide (CID 16782691) is 2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide is CN(C)CCCNS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The InChIKey is SVCKLTJXNAERTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-14(2)9-5-8-13-17(15,16)11-7-4-3-6-10(11)12/h3-4,6-7,13H,5,8-9,12H2,1-2H3.
What are the key properties of 2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide?
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 16782691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).