ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate

C16H23NO3S — CID 67257361

IUPACethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate
SMILESCCOC(=O)N(C1CCCCC1)C1OCCc2sccc21
InChIInChI=1S/C16H23NO3S/c1-2-19-16(18)17(12-6-4-3-5-7-12)15-13-9-11-21-14(13)8-10-20-15/h9,11-12,15H,2-8,10H2,1H3
InChIKeyPOACTQYPCFLCHU-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.11
Rot. Bonds3

About ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate

ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate (PubChem CID 67257361) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate
PubChem CID67257361
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Nameethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate
SMILESCCOC(=O)N(C1CCCCC1)C1OCCc2sccc21
InChIInChI=1S/C16H23NO3S/c1-2-19-16(18)17(12-6-4-3-5-7-12)15-13-9-11-21-14(13)8-10-20-15/h9,11-12,15H,2-8,10H2,1H3
InChIKeyPOACTQYPCFLCHU-UHFFFAOYSA-N
XLogP4.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate?
The IUPAC name of ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate (CID 67257361) is ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate.
What is the SMILES notation for ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate?
The canonical SMILES for ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate is CCOC(=O)N(C1CCCCC1)C1OCCc2sccc21.
What is the InChIKey of ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate?
The InChIKey is POACTQYPCFLCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-2-19-16(18)17(12-6-4-3-5-7-12)15-13-9-11-21-14(13)8-10-20-15/h9,11-12,15H,2-8,10H2,1H3.
What are the key properties of ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate?
ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate has a molecular weight of 309.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate is sourced from PubChem (CID 67257361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).