6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine

C16H24N4S — CID 91260202

IUPAC6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine
SMILES[3H]c1sc2nc(N3CCC(NC)CC3)cc(CCC)c2c1N
InChIInChI=1S/C16H24N4S/c1-3-4-11-9-14(19-16-15(11)13(17)10-21-16)20-7-5-12(18-2)6-8-20/h9-10,12,18H,3-8,17H2,1-2H3/i10T
InChIKeyNYKSROOSPJHBJF-OAWTUDSLSA-N
MW306.47 g/mol
LogP3.02
Rot. Bonds4

About 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine

6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine (PubChem CID 91260202) has the molecular formula C16H24N4S and a molecular weight of 306.47 g/mol. Its IUPAC name is 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine
PubChem CID91260202
Molecular FormulaC16H24N4S
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine
SMILES[3H]c1sc2nc(N3CCC(NC)CC3)cc(CCC)c2c1N
InChIInChI=1S/C16H24N4S/c1-3-4-11-9-14(19-16-15(11)13(17)10-21-16)20-7-5-12(18-2)6-8-20/h9-10,12,18H,3-8,17H2,1-2H3/i10T
InChIKeyNYKSROOSPJHBJF-OAWTUDSLSA-N
XLogP3.02
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine with MolForge

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Related Compounds

3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400958
4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide
CID 91128293
3-amino-6-[4-(methylcarbamoylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278562
3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278580
(2S)-2-amino-1-[4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-one
CID 141077744
[3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
CID 69132133
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
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-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane
CID 161274110
[3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
CID 69132162
3-amino-6-[4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269262

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine (CID 91260202) is 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine is [3H]c1sc2nc(N3CCC(NC)CC3)cc(CCC)c2c1N.
What is the InChIKey of 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine?
The InChIKey is NYKSROOSPJHBJF-OAWTUDSLSA-N. The full InChI is InChI=1S/C16H24N4S/c1-3-4-11-9-14(19-16-15(11)13(17)10-21-16)20-7-5-12(18-2)6-8-20/h9-10,12,18H,3-8,17H2,1-2H3/i10T.
What are the key properties of 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine?
6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine has a molecular weight of 306.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 91260202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).