N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide

C12H22N4O2S — CID 113025774

IUPACN-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCCCN(C)C)cn1
InChIInChI=1S/C12H22N4O2S/c1-4-19(17,18)15-12-7-6-11(10-14-12)13-8-5-9-16(2)3/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,14,15)
InChIKeyOKLLBBQJDBEGON-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.21
Rot. Bonds8

About N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide

N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide (PubChem CID 113025774) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide
PubChem CID113025774
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCCCN(C)C)cn1
InChIInChI=1S/C12H22N4O2S/c1-4-19(17,18)15-12-7-6-11(10-14-12)13-8-5-9-16(2)3/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,14,15)
InChIKeyOKLLBBQJDBEGON-UHFFFAOYSA-N
XLogP1.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.21
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

5-[2-(dimethylamino)ethylamino]-2-(dimethylsulfamoylamino)pyridine
CID 113025561
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
CID 113010994
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113010999
4-[[5-[3-(dimethylamino)propylamino]-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187475
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113025588
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]ethanesulfonamide
CID 113031073

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide (CID 113025774) is N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NCCCN(C)C)cn1.
What is the InChIKey of N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide?
The InChIKey is OKLLBBQJDBEGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-19(17,18)15-12-7-6-11(10-14-12)13-8-5-9-16(2)3/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide?
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113025774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).