4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide

C12H20N2O5S2 — CID 71808925

IUPAC4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C12H20N2O5S2/c1-13(2)21(17,18)14-7-5-12(6-8-14)20(15,16)10-11-4-3-9-19-11/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyOJVKEHINRZBOLP-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.47
Rot. Bonds5

About 4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide

4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 71808925) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID71808925
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C12H20N2O5S2/c1-13(2)21(17,18)14-7-5-12(6-8-14)20(15,16)10-11-4-3-9-19-11/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyOJVKEHINRZBOLP-UHFFFAOYSA-N
XLogP0.47
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide (CID 71808925) is 4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1.
What is the InChIKey of 4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is OJVKEHINRZBOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-13(2)21(17,18)14-7-5-12(6-8-14)20(15,16)10-11-4-3-9-19-11/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide?
4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 71808925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).