N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

C13H15N3OS2 — CID 81261069

IUPACN-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESc1c(-c2nc(CNC3CC3)no2)sc2c1CSCC2
InChIInChI=1S/C13H15N3OS2/c1-2-9(1)14-6-12-15-13(17-16-12)11-5-8-7-18-4-3-10(8)19-11/h5,9,14H,1-4,6-7H2
InChIKeyYHEQXSMHAZOHTE-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.84
Rot. Bonds4

About N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (PubChem CID 81261069) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
PubChem CID81261069
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESc1c(-c2nc(CNC3CC3)no2)sc2c1CSCC2
InChIInChI=1S/C13H15N3OS2/c1-2-9(1)14-6-12-15-13(17-16-12)11-5-8-7-18-4-3-10(8)19-11/h5,9,14H,1-4,6-7H2
InChIKeyYHEQXSMHAZOHTE-UHFFFAOYSA-N
XLogP2.84
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (CID 81261069) is N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is c1c(-c2nc(CNC3CC3)no2)sc2c1CSCC2.
What is the InChIKey of N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The InChIKey is YHEQXSMHAZOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-2-9(1)14-6-12-15-13(17-16-12)11-5-8-7-18-4-3-10(8)19-11/h5,9,14H,1-4,6-7H2.
What are the key properties of N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine has a molecular weight of 293.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81261069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).