tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate

C18H24N2O2S — CID 158741772

IUPACtert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@H](Cc2ccc3sccc3n2)C1
InChIInChI=1S/C18H24N2O2S/c1-18(2,3)22-17(21)20-14-5-4-12(11-14)10-13-6-7-16-15(19-13)8-9-23-16/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,20,21)/t12-,14+/m1/s1
InChIKeyGLYYJKWEJLACGF-OCCSQVGLSA-N
MW332.47 g/mol
LogP4.53
Rot. Bonds3

About tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate

tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate (PubChem CID 158741772) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate
PubChem CID158741772
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Nametert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@H](Cc2ccc3sccc3n2)C1
InChIInChI=1S/C18H24N2O2S/c1-18(2,3)22-17(21)20-14-5-4-12(11-14)10-13-6-7-16-15(19-13)8-9-23-16/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,20,21)/t12-,14+/m1/s1
InChIKeyGLYYJKWEJLACGF-OCCSQVGLSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
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tert-butyl N-[(1R,3S)-3-[[(4-methylsulfonylphenyl)sulfonylamino]methyl]cyclopentyl]carbamate
CID 11661983
tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate
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tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
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tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[(1S,3R)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate (CID 158741772) is tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC[C@H](Cc2ccc3sccc3n2)C1.
What is the InChIKey of tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate?
The InChIKey is GLYYJKWEJLACGF-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-18(2,3)22-17(21)20-14-5-4-12(11-14)10-13-6-7-16-15(19-13)8-9-23-16/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,20,21)/t12-,14+/m1/s1.
What are the key properties of tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate?
tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate has a molecular weight of 332.47 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate is sourced from PubChem (CID 158741772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).