2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole

C15H21N3O4S — CID 95103481

IUPAC2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2coc(S(=O)(=O)N3CCCC[C@@H]3C)c2)o1
InChIInChI=1S/C15H21N3O4S/c1-10(2)14-16-17-15(22-14)12-8-13(21-9-12)23(19,20)18-7-5-4-6-11(18)3/h8-11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyJDDHBTGNHHKKOH-NSHDSACASA-N
MW339.42 g/mol
LogP3.02
Rot. Bonds4

About 2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole

2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 95103481) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID95103481
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2coc(S(=O)(=O)N3CCCC[C@@H]3C)c2)o1
InChIInChI=1S/C15H21N3O4S/c1-10(2)14-16-17-15(22-14)12-8-13(21-9-12)23(19,20)18-7-5-4-6-11(18)3/h8-11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyJDDHBTGNHHKKOH-NSHDSACASA-N
XLogP3.02
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 95103481) is 2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2coc(S(=O)(=O)N3CCCC[C@@H]3C)c2)o1.
What is the InChIKey of 2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is JDDHBTGNHHKKOH-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-10(2)14-16-17-15(22-14)12-8-13(21-9-12)23(19,20)18-7-5-4-6-11(18)3/h8-11H,4-7H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 339.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 95103481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).