4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine

C20H27NO6S2 — CID 90590728

IUPAC4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1C
InChIInChI=1S/C20H27NO6S2/c1-3-12-27-20-7-6-19(14-16(20)2)29(24,25)21-10-8-18(9-11-21)28(22,23)15-17-5-4-13-26-17/h4-7,13-14,18H,3,8-12,15H2,1-2H3
InChIKeyZNTSNXNRKQNEPN-UHFFFAOYSA-N
MW441.57 g/mol
LogP3.14
Rot. Bonds8

About 4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine

4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine (PubChem CID 90590728) has the molecular formula C20H27NO6S2 and a molecular weight of 441.57 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
PubChem CID90590728
Molecular FormulaC20H27NO6S2
Molecular Weight441.57 g/mol
Exact Mass441.13
IUPAC Name4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1C
InChIInChI=1S/C20H27NO6S2/c1-3-12-27-20-7-6-19(14-16(20)2)29(24,25)21-10-8-18(9-11-21)28(22,23)15-17-5-4-13-26-17/h4-7,13-14,18H,3,8-12,15H2,1-2H3
InChIKeyZNTSNXNRKQNEPN-UHFFFAOYSA-N
XLogP3.14
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585261
1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590714
4-(furan-2-ylmethylsulfonyl)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90590716
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 16888241
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine
CID 99873558
4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
CID 90590757
1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590683
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3162871
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592455
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669821
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754
ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6472617

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine (CID 90590728) is 4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine is CCCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1C.
What is the InChIKey of 4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine?
The InChIKey is ZNTSNXNRKQNEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO6S2/c1-3-12-27-20-7-6-19(14-16(20)2)29(24,25)21-10-8-18(9-11-21)28(22,23)15-17-5-4-13-26-17/h4-7,13-14,18H,3,8-12,15H2,1-2H3.
What are the key properties of 4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine?
4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine has a molecular weight of 441.57 g/mol, XLogP of 3.14, 8 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-(3-methyl-4-propoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 90590728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).