N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide

C8H13NO3S2 — CID 2288230

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCSCc1ccco1
InChIInChI=1S/C8H13NO3S2/c1-14(10,11)9-4-6-13-7-8-3-2-5-12-8/h2-3,5,9H,4,6-7H2,1H3
InChIKeyGOIMEQYBKCAFPM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.06
Rot. Bonds6

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide (PubChem CID 2288230) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide
PubChem CID2288230
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCSCc1ccco1
InChIInChI=1S/C8H13NO3S2/c1-14(10,11)9-4-6-13-7-8-3-2-5-12-8/h2-3,5,9H,4,6-7H2,1H3
InChIKeyGOIMEQYBKCAFPM-UHFFFAOYSA-N
XLogP1.06
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide (CID 2288230) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide is CS(=O)(=O)NCCSCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide?
The InChIKey is GOIMEQYBKCAFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-14(10,11)9-4-6-13-7-8-3-2-5-12-8/h2-3,5,9H,4,6-7H2,1H3.
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide has a molecular weight of 235.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide is sourced from PubChem (CID 2288230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).