3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide

C10H16N2O5S2 — CID 71809447

IUPAC3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C10H16N2O5S2/c1-11(2)19(15,16)12-6-10(7-12)18(13,14)8-9-4-3-5-17-9/h3-5,10H,6-8H2,1-2H3
InChIKeyDLESBUHSECYGSX-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.31
Rot. Bonds5

About 3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide

3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide (PubChem CID 71809447) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide
PubChem CID71809447
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C10H16N2O5S2/c1-11(2)19(15,16)12-6-10(7-12)18(13,14)8-9-4-3-5-17-9/h3-5,10H,6-8H2,1-2H3
InChIKeyDLESBUHSECYGSX-UHFFFAOYSA-N
XLogP-0.31
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide?
The IUPAC name of 3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide (CID 71809447) is 3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide.
What is the SMILES notation for 3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide?
The canonical SMILES for 3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(S(=O)(=O)Cc2ccco2)C1.
What is the InChIKey of 3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide?
The InChIKey is DLESBUHSECYGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-11(2)19(15,16)12-6-10(7-12)18(13,14)8-9-4-3-5-17-9/h3-5,10H,6-8H2,1-2H3.
What are the key properties of 3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide?
3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide has a molecular weight of 308.38 g/mol, XLogP of -0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfonyl)-N,N-dimethylazetidine-1-sulfonamide is sourced from PubChem (CID 71809447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).