N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide

C13H17NO2S — CID 71933538

IUPACN-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
SMILESO=C(CC1OCCc2ccsc21)NCC1CC1
InChIInChI=1S/C13H17NO2S/c15-12(14-8-9-1-2-9)7-11-13-10(3-5-16-11)4-6-17-13/h4,6,9,11H,1-3,5,7-8H2,(H,14,15)
InChIKeyWKCMCIWOJORGBY-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.28
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide

N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide (PubChem CID 71933538) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
PubChem CID71933538
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
SMILESO=C(CC1OCCc2ccsc21)NCC1CC1
InChIInChI=1S/C13H17NO2S/c15-12(14-8-9-1-2-9)7-11-13-10(3-5-16-11)4-6-17-13/h4,6,9,11H,1-3,5,7-8H2,(H,14,15)
InChIKeyWKCMCIWOJORGBY-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide (CID 71933538) is N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide is O=C(CC1OCCc2ccsc21)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The InChIKey is WKCMCIWOJORGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-12(14-8-9-1-2-9)7-11-13-10(3-5-16-11)4-6-17-13/h4,6,9,11H,1-3,5,7-8H2,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide has a molecular weight of 251.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide is sourced from PubChem (CID 71933538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).