2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol

C14H23N3O4S — CID 4792805

IUPAC2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
SMILESO=S(=O)(c1ccc(NCCOCCO)nc1)N1CCCCC1
InChIInChI=1S/C14H23N3O4S/c18-9-11-21-10-6-15-14-5-4-13(12-16-14)22(19,20)17-7-2-1-3-8-17/h4-5,12,18H,1-3,6-11H2,(H,15,16)
InChIKeyYEAYOMSGCXMLRJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.68
Rot. Bonds8

About 2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol

2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol (PubChem CID 4792805) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
PubChem CID4792805
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
SMILESO=S(=O)(c1ccc(NCCOCCO)nc1)N1CCCCC1
InChIInChI=1S/C14H23N3O4S/c18-9-11-21-10-6-15-14-5-4-13(12-16-14)22(19,20)17-7-2-1-3-8-17/h4-5,12,18H,1-3,6-11H2,(H,15,16)
InChIKeyYEAYOMSGCXMLRJ-UHFFFAOYSA-N
XLogP0.68
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 133332233
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133281384
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384817
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829206

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol (CID 4792805) is 2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol is O=S(=O)(c1ccc(NCCOCCO)nc1)N1CCCCC1.
What is the InChIKey of 2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol?
The InChIKey is YEAYOMSGCXMLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c18-9-11-21-10-6-15-14-5-4-13(12-16-14)22(19,20)17-7-2-1-3-8-17/h4-5,12,18H,1-3,6-11H2,(H,15,16).
What are the key properties of 2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol?
2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol has a molecular weight of 329.42 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol is sourced from PubChem (CID 4792805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).