N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide

C13H24N4O2S — CID 131945504

IUPACN-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)NCCNc1ccncc1C
InChIInChI=1S/C13H24N4O2S/c1-4-20(18,19)17-10-12(3)15-7-8-16-13-5-6-14-9-11(13)2/h5-6,9,12,15,17H,4,7-8,10H2,1-3H3,(H,14,16)
InChIKeyPHIJJYNMLCKZAZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.72
Rot. Bonds9

About N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide

N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide (PubChem CID 131945504) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide
PubChem CID131945504
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)NCCNc1ccncc1C
InChIInChI=1S/C13H24N4O2S/c1-4-20(18,19)17-10-12(3)15-7-8-16-13-5-6-14-9-11(13)2/h5-6,9,12,15,17H,4,7-8,10H2,1-3H3,(H,14,16)
InChIKeyPHIJJYNMLCKZAZ-UHFFFAOYSA-N
XLogP0.72
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

BM-960102
CID 819349
4-(Allylamino)-3-pyridinesulfonamide
CID 25044690
N-(3-phenylamino-4-pyridinyl)methanesulfonamide
CID 44475843
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide
CID 5156859
N-{4-[2-(4-[4-pyridinyl]-1-piperazinyl)ethyl]phenyl}methanesulphonamide
CID 21274454
4-(4-Methylanilino)pyridine-3-sulfonamide
CID 819340
1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 743635
N-[4-(4-pyridinylmethyl)phenyl]-1-butanesulfonamide
CID 2227811
Pyridin-3-ylmethanesulfonamide
CID 33695611
N,3-dimethylpyridin-4-amine
CID 817736
1-phenyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 669272
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide
CID 3239247

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide (CID 131945504) is N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide is CCS(=O)(=O)NCC(C)NCCNc1ccncc1C.
What is the InChIKey of N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide?
The InChIKey is PHIJJYNMLCKZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-20(18,19)17-10-12(3)15-7-8-16-13-5-6-14-9-11(13)2/h5-6,9,12,15,17H,4,7-8,10H2,1-3H3,(H,14,16).
What are the key properties of N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide?
N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide is sourced from PubChem (CID 131945504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).