(3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane

C17H27F2NOS — CID 155572054

IUPAC(3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane
SMILESCC.CCCc1cc(C(=O)N2CCCC(F)(F)C2)sc1CC
InChIInChI=1S/C15H21F2NOS.C2H6/c1-3-6-11-9-13(20-12(11)4-2)14(19)18-8-5-7-15(16,17)10-18;1-2/h9H,3-8,10H2,1-2H3;1-2H3
InChIKeyFYESFTPCPYQVNH-UHFFFAOYSA-N
MW331.47 g/mol
LogP5.16
Rot. Bonds4

About (3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane

(3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane (PubChem CID 155572054) has the molecular formula C17H27F2NOS and a molecular weight of 331.47 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane
PubChem CID155572054
Molecular FormulaC17H27F2NOS
Molecular Weight331.47 g/mol
Exact Mass331.18
IUPAC Name(3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane
SMILESCC.CCCc1cc(C(=O)N2CCCC(F)(F)C2)sc1CC
InChIInChI=1S/C15H21F2NOS.C2H6/c1-3-6-11-9-13(20-12(11)4-2)14(19)18-8-5-7-15(16,17)10-18;1-2/h9H,3-8,10H2,1-2H3;1-2H3
InChIKeyFYESFTPCPYQVNH-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane (CID 155572054) is (3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane is CC.CCCc1cc(C(=O)N2CCCC(F)(F)C2)sc1CC.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane?
The InChIKey is FYESFTPCPYQVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NOS.C2H6/c1-3-6-11-9-13(20-12(11)4-2)14(19)18-8-5-7-15(16,17)10-18;1-2/h9H,3-8,10H2,1-2H3;1-2H3.
What are the key properties of (3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane?
(3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane has a molecular weight of 331.47 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane is sourced from PubChem (CID 155572054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).