1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine

C16H23N3O4S — CID 131940046

IUPAC1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine
SMILESCCCOC1CCCN(S(=O)(=O)c2cc(-c3ccn[nH]3)oc2C)C1
InChIInChI=1S/C16H23N3O4S/c1-3-9-22-13-5-4-8-19(11-13)24(20,21)16-10-15(23-12(16)2)14-6-7-17-18-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,17,18)
InChIKeyHKDVPWZKHFUWMK-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.56
Rot. Bonds6

About 1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine

1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine (PubChem CID 131940046) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine.

Molecular Properties

Compound Name1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine
PubChem CID131940046
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine
SMILESCCCOC1CCCN(S(=O)(=O)c2cc(-c3ccn[nH]3)oc2C)C1
InChIInChI=1S/C16H23N3O4S/c1-3-9-22-13-5-4-8-19(11-13)24(20,21)16-10-15(23-12(16)2)14-6-7-17-18-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,17,18)
InChIKeyHKDVPWZKHFUWMK-UHFFFAOYSA-N
XLogP2.56
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine?
The IUPAC name of 1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine (CID 131940046) is 1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine.
What is the SMILES notation for 1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine?
The canonical SMILES for 1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine is CCCOC1CCCN(S(=O)(=O)c2cc(-c3ccn[nH]3)oc2C)C1.
What is the InChIKey of 1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine?
The InChIKey is HKDVPWZKHFUWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-3-9-22-13-5-4-8-19(11-13)24(20,21)16-10-15(23-12(16)2)14-6-7-17-18-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine?
1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine has a molecular weight of 353.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine is sourced from PubChem (CID 131940046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).