2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide

C10H18N4O2S — CID 62145237

IUPAC2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C10H18N4O2S/c1-14(2)7-3-5-13-17(15,16)9-4-6-12-10(11)8-9/h4,6,8,13H,3,5,7H2,1-2H3,(H2,11,12)
InChIKeyULJQBDJTYRYVEN-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.11
Rot. Bonds6

About 2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide

2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide (PubChem CID 62145237) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
PubChem CID62145237
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C10H18N4O2S/c1-14(2)7-3-5-13-17(15,16)9-4-6-12-10(11)8-9/h4,6,8,13H,3,5,7H2,1-2H3,(H2,11,12)
InChIKeyULJQBDJTYRYVEN-UHFFFAOYSA-N
XLogP-0.11
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 62978743
3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83115602
2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
CID 82946971
N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62159155
2-amino-N-[2-(dimethylamino)-2-methylpropyl]pyridine-4-sulfonamide
CID 62152452
N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
CID 110759938
2-amino-N-[3-(dimethylamino)propyl]-5-methylsulfonylbenzenesulfonamide
CID 62145409
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
3-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methoxybenzenesulfonamide
CID 28718145
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide
CID 62159378

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide (CID 62145237) is 2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide is CN(C)CCCNS(=O)(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide?
The InChIKey is ULJQBDJTYRYVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-14(2)7-3-5-13-17(15,16)9-4-6-12-10(11)8-9/h4,6,8,13H,3,5,7H2,1-2H3,(H2,11,12).
What are the key properties of 2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide?
2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide is sourced from PubChem (CID 62145237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).