tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate

C13H15NO2S — CID 174948003

IUPACtert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1cc2cccsc-2c1
InChIInChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-10-7-9-5-4-6-17-11(9)8-10/h4-8H,1-3H3,(H,14,15)
InChIKeyCGCMCHODBRLDMZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP4.20
Rot. Bonds1

About tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate

tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate (PubChem CID 174948003) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate
PubChem CID174948003
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Nametert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1cc2cccsc-2c1
InChIInChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-10-7-9-5-4-6-17-11(9)8-10/h4-8H,1-3H3,(H,14,15)
InChIKeyCGCMCHODBRLDMZ-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-thiophen-3-ylcarbamate
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tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
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tert-butyl N-[2-[[(E)-but-2-enyl]amino]-4-thiophen-2-ylphenyl]carbamate
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tert-butyl N-[3-amino-5-(4-aminophenyl)phenyl]carbamate
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tert-butyl N-[4-[(3-bromothiophen-2-yl)methylamino]phenyl]carbamate
CID 104756602
tert-butyl N-[3-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]carbamate
CID 66511950
tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
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tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
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tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate
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tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate?
The IUPAC name of tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate (CID 174948003) is tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate.
What is the SMILES notation for tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate?
The canonical SMILES for tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate is CC(C)(C)OC(=O)Nc1cc2cccsc-2c1.
What is the InChIKey of tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate?
The InChIKey is CGCMCHODBRLDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-10-7-9-5-4-6-17-11(9)8-10/h4-8H,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate?
tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate has a molecular weight of 249.34 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate is sourced from PubChem (CID 174948003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).