4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine

C15H19NO5S3 — CID 71808916

IUPAC4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)s1
InChIInChI=1S/C15H19NO5S3/c1-12-4-5-15(22-12)24(19,20)16-8-6-14(7-9-16)23(17,18)11-13-3-2-10-21-13/h2-5,10,14H,6-9,11H2,1H3
InChIKeyPNXSQLYKNQGGLT-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.42
Rot. Bonds5

About 4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine

4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine (PubChem CID 71808916) has the molecular formula C15H19NO5S3 and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
PubChem CID71808916
Molecular FormulaC15H19NO5S3
Molecular Weight389.52 g/mol
Exact Mass389.04
IUPAC Name4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)s1
InChIInChI=1S/C15H19NO5S3/c1-12-4-5-15(22-12)24(19,20)16-8-6-14(7-9-16)23(17,18)11-13-3-2-10-21-13/h2-5,10,14H,6-9,11H2,1H3
InChIKeyPNXSQLYKNQGGLT-UHFFFAOYSA-N
XLogP2.42
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine (CID 71808916) is 4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)s1.
What is the InChIKey of 4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The InChIKey is PNXSQLYKNQGGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S3/c1-12-4-5-15(22-12)24(19,20)16-8-6-14(7-9-16)23(17,18)11-13-3-2-10-21-13/h2-5,10,14H,6-9,11H2,1H3.
What are the key properties of 4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine has a molecular weight of 389.52 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 71808916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).