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

C13H15N3OS2 — CID 81261776

IUPACcyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(-c2cc3c(s2)CCSC3)n1)C1CC1
InChIInChI=1S/C13H15N3OS2/c14-11(7-1-2-7)12-15-13(17-16-12)10-5-8-6-18-4-3-9(8)19-10/h5,7,11H,1-4,6,14H2
InChIKeyRSVGBEFMKBMZHN-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.00
Rot. Bonds3

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

cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 81261776) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID81261776
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Namecyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(-c2cc3c(s2)CCSC3)n1)C1CC1
InChIInChI=1S/C13H15N3OS2/c14-11(7-1-2-7)12-15-13(17-16-12)10-5-8-6-18-4-3-9(8)19-10/h5,7,11H,1-4,6,14H2
InChIKeyRSVGBEFMKBMZHN-UHFFFAOYSA-N
XLogP3.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 81261776) is cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is NC(c1noc(-c2cc3c(s2)CCSC3)n1)C1CC1.
What is the InChIKey of cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is RSVGBEFMKBMZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c14-11(7-1-2-7)12-15-13(17-16-12)10-5-8-6-18-4-3-9(8)19-10/h5,7,11H,1-4,6,14H2.
What are the key properties of cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 293.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 81261776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).