[(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid

C13H16N4O2S — CID 90279325

IUPAC[(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid
SMILESNc1cnc2ccsc2c1N1CCC[C@H](NC(=O)O)C1
InChIInChI=1S/C13H16N4O2S/c14-9-6-15-10-3-5-20-12(10)11(9)17-4-1-2-8(7-17)16-13(18)19/h3,5-6,8,16H,1-2,4,7,14H2,(H,18,19)/t8-/m0/s1
InChIKeyZTSRTUGHIWJRFE-QMMMGPOBSA-N
MW292.36 g/mol
LogP2.11
Rot. Bonds2

About [(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid

[(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid (PubChem CID 90279325) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is [(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid
PubChem CID90279325
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name[(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid
SMILESNc1cnc2ccsc2c1N1CCC[C@H](NC(=O)O)C1
InChIInChI=1S/C13H16N4O2S/c14-9-6-15-10-3-5-20-12(10)11(9)17-4-1-2-8(7-17)16-13(18)19/h3,5-6,8,16H,1-2,4,7,14H2,(H,18,19)/t8-/m0/s1
InChIKeyZTSRTUGHIWJRFE-QMMMGPOBSA-N
XLogP2.11
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
CID 70982126
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
[1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid
CID 139413882
N-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)butanamide
CID 133354808
5-amino-N-[7-[(3S)-3-aminopiperidin-1-yl]thieno[3,2-b]pyridin-6-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86726665
1-thieno[3,2-b]pyridin-7-ylpiperidine-3-carboxamide
CID 172899866
piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone
CID 166601294
[(3S)-1-(2-methoxy-3,4-dioxocyclobuten-1-yl)piperidin-3-yl]carbamic acid
CID 87600320
tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate
CID 86717453
[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 69046948
tert-butyl (3S)-3-[[(3R)-1-thieno[3,2-d]pyrimidin-4-ylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 51961162

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid (CID 90279325) is [(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid is Nc1cnc2ccsc2c1N1CCC[C@H](NC(=O)O)C1.
What is the InChIKey of [(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid?
The InChIKey is ZTSRTUGHIWJRFE-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-9-6-15-10-3-5-20-12(10)11(9)17-4-1-2-8(7-17)16-13(18)19/h3,5-6,8,16H,1-2,4,7,14H2,(H,18,19)/t8-/m0/s1.
What are the key properties of [(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid?
[(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid has a molecular weight of 292.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 90279325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).