1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol

C15H22N4O3S — CID 142840304

IUPAC1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol
SMILESCC(N)(O)c1sc2nc(N3CCC(O)CC3)cc(CO)c2c1N
InChIInChI=1S/C15H22N4O3S/c1-15(17,22)13-12(16)11-8(7-20)6-10(18-14(11)23-13)19-4-2-9(21)3-5-19/h6,9,20-22H,2-5,7,16-17H2,1H3
InChIKeySONHFINNLVJXSP-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.46
Rot. Bonds3

About 1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol

1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol (PubChem CID 142840304) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol
PubChem CID142840304
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol
SMILESCC(N)(O)c1sc2nc(N3CCC(O)CC3)cc(CO)c2c1N
InChIInChI=1S/C15H22N4O3S/c1-15(17,22)13-12(16)11-8(7-20)6-10(18-14(11)23-13)19-4-2-9(21)3-5-19/h6,9,20-22H,2-5,7,16-17H2,1H3
InChIKeySONHFINNLVJXSP-UHFFFAOYSA-N
XLogP0.46
TPSA128.86 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 157148664
3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269207
1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-4-ol;ethane;methane
CID 143033503
1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol
CID 114920202
3-amino-6-(4-hydroxypiperidin-1-yl)-4-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 10450537
3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278580
3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400958
[3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
CID 69132162
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
3-amino-6-[(3S)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 23400853
3-amino-6-[(3R)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 142776840
3-amino-6-[4-(methylcarbamoylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278562

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol?
The IUPAC name of 1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol (CID 142840304) is 1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol is CC(N)(O)c1sc2nc(N3CCC(O)CC3)cc(CO)c2c1N.
What is the InChIKey of 1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol?
The InChIKey is SONHFINNLVJXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-15(17,22)13-12(16)11-8(7-20)6-10(18-14(11)23-13)19-4-2-9(21)3-5-19/h6,9,20-22H,2-5,7,16-17H2,1H3.
What are the key properties of 1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol?
1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol has a molecular weight of 338.43 g/mol, XLogP of 0.46, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-2-(1-amino-1-hydroxyethyl)-4-(hydroxymethyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-ol is sourced from PubChem (CID 142840304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).