tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate

C13H18BrNO3S — CID 123606013

IUPACtert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1OCCc2sc(Br)cc21
InChIInChI=1S/C13H18BrNO3S/c1-13(2,3)18-12(16)15(4)11-8-7-10(14)19-9(8)5-6-17-11/h7,11H,5-6H2,1-4H3
InChIKeyGIQIYCZTORLHAJ-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.95
Rot. Bonds1

About tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate

tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate (PubChem CID 123606013) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate
PubChem CID123606013
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Nametert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1OCCc2sc(Br)cc21
InChIInChI=1S/C13H18BrNO3S/c1-13(2,3)18-12(16)15(4)11-8-7-10(14)19-9(8)5-6-17-11/h7,11H,5-6H2,1-4H3
InChIKeyGIQIYCZTORLHAJ-UHFFFAOYSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methyl]-N-methylcarbamate
CID 67258945
tert-butyl N-[1-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propan-2-yl]carbamate
CID 107247702
tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate
CID 97056703
tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637607
tert-butyl N-[[(1R)-5-chloro-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylcarbamate
CID 134215152
tert-butyl N-[(2S)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637606
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
CID 142303011
tert-butyl N,N-bis(5-bromothiophen-2-yl)carbamate
CID 102397076
tert-butyl N-[(6-bromo-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-N-methylcarbamate
CID 137460512
tert-butyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate
CID 156693719
tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate
CID 163992532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate (CID 123606013) is tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1OCCc2sc(Br)cc21.
What is the InChIKey of tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate?
The InChIKey is GIQIYCZTORLHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-13(2,3)18-12(16)15(4)11-8-7-10(14)19-9(8)5-6-17-11/h7,11H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate?
tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate has a molecular weight of 348.26 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate is sourced from PubChem (CID 123606013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).