2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol

C14H26N4O6S2 — CID 71220747

IUPAC2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol
SMILESCc1cc(NCCS(=O)(=O)CCO)nc(NCCS(=O)(=O)CCO)c1N
InChIInChI=1S/C14H26N4O6S2/c1-11-10-12(16-2-6-25(21,22)8-4-19)18-14(13(11)15)17-3-7-26(23,24)9-5-20/h10,19-20H,2-9,15H2,1H3,(H2,16,17,18)
InChIKeyYFJPHOFFPUYIKB-UHFFFAOYSA-N
MW410.52 g/mol
LogP-1.39
Rot. Bonds12

About 2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol

2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol (PubChem CID 71220747) has the molecular formula C14H26N4O6S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol
PubChem CID71220747
Molecular FormulaC14H26N4O6S2
Molecular Weight410.52 g/mol
Exact Mass410.13
IUPAC Name2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol
SMILESCc1cc(NCCS(=O)(=O)CCO)nc(NCCS(=O)(=O)CCO)c1N
InChIInChI=1S/C14H26N4O6S2/c1-11-10-12(16-2-6-25(21,22)8-4-19)18-14(13(11)15)17-3-7-26(23,24)9-5-20/h10,19-20H,2-9,15H2,1H3,(H2,16,17,18)
InChIKeyYFJPHOFFPUYIKB-UHFFFAOYSA-N
XLogP-1.39
TPSA171.71 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 5-1.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol?
The IUPAC name of 2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol (CID 71220747) is 2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol.
What is the SMILES notation for 2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol?
The canonical SMILES for 2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol is Cc1cc(NCCS(=O)(=O)CCO)nc(NCCS(=O)(=O)CCO)c1N.
What is the InChIKey of 2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol?
The InChIKey is YFJPHOFFPUYIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O6S2/c1-11-10-12(16-2-6-25(21,22)8-4-19)18-14(13(11)15)17-3-7-26(23,24)9-5-20/h10,19-20H,2-9,15H2,1H3,(H2,16,17,18).
What are the key properties of 2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol?
2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol has a molecular weight of 410.52 g/mol, XLogP of -1.39, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol is sourced from PubChem (CID 71220747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).