tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate

C16H21N3O2S — CID 122142851

IUPACtert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)18-11-5-8-19(10-11)13-4-7-17-12-6-9-22-14(12)13/h4,6-7,9,11H,5,8,10H2,1-3H3,(H,18,20)
InChIKeyAMUZMXOTZGLUOT-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate

tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate (PubChem CID 122142851) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate
PubChem CID122142851
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Nametert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)18-11-5-8-19(10-11)13-4-7-17-12-6-9-22-14(12)13/h4,6-7,9,11H,5,8,10H2,1-3H3,(H,18,20)
InChIKeyAMUZMXOTZGLUOT-UHFFFAOYSA-N
XLogP3.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)butanamide
CID 133354808
tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate
CID 77473382
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295
tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 18667607
tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 125461656
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[(3S)-1-(6-pyrimidin-2-ylquinolin-4-yl)piperidin-3-yl]carbamate
CID 123553559
tert-butyl N-[1-(4-cyano-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 140784290
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate (CID 122142851) is tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccnc3ccsc23)C1.
What is the InChIKey of tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate?
The InChIKey is AMUZMXOTZGLUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)18-11-5-8-19(10-11)13-4-7-17-12-6-9-22-14(12)13/h4,6-7,9,11H,5,8,10H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate?
tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate has a molecular weight of 319.43 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 122142851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).