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

C13H17NO3S — CID 67256790

IUPACethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate
SMILESCCOC(=O)N(C1CC1)C1OCCc2sccc21
InChIInChI=1S/C13H17NO3S/c1-2-16-13(15)14(9-3-4-9)12-10-6-8-18-11(10)5-7-17-12/h6,8-9,12H,2-5,7H2,1H3
InChIKeyRULHJIRNSORAHK-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.94
Rot. Bonds3

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

ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate (PubChem CID 67256790) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate
PubChem CID67256790
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Nameethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate
SMILESCCOC(=O)N(C1CC1)C1OCCc2sccc21
InChIInChI=1S/C13H17NO3S/c1-2-16-13(15)14(9-3-4-9)12-10-6-8-18-11(10)5-7-17-12/h6,8-9,12H,2-5,7H2,1H3
InChIKeyRULHJIRNSORAHK-UHFFFAOYSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate?
The IUPAC name of ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate (CID 67256790) is ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate.
What is the SMILES notation for ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate?
The canonical SMILES for ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate is CCOC(=O)N(C1CC1)C1OCCc2sccc21.
What is the InChIKey of ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate?
The InChIKey is RULHJIRNSORAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-16-13(15)14(9-3-4-9)12-10-6-8-18-11(10)5-7-17-12/h6,8-9,12H,2-5,7H2,1H3.
What are the key properties of ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate?
ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate has a molecular weight of 267.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate is sourced from PubChem (CID 67256790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).