N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide

C14H18N2O3S2 — CID 75418911

IUPACN,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CSCCc2ccccn2)o1
InChIInChI=1S/C14H18N2O3S2/c1-16(2)21(17,18)14-7-6-13(19-14)11-20-10-8-12-5-3-4-9-15-12/h3-7,9H,8,10-11H2,1-2H3
InChIKeyLRGOPBPTKUMRBR-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.40
Rot. Bonds7

About N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide

N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide (PubChem CID 75418911) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide
PubChem CID75418911
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CSCCc2ccccn2)o1
InChIInChI=1S/C14H18N2O3S2/c1-16(2)21(17,18)14-7-6-13(19-14)11-20-10-8-12-5-3-4-9-15-12/h3-7,9H,8,10-11H2,1-2H3
InChIKeyLRGOPBPTKUMRBR-UHFFFAOYSA-N
XLogP2.40
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide
CID 79042214
2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine
CID 2172820
5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole
CID 78860958
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623
N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide
CID 86799275
[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
CID 113372422
2-[2-(2,2-dimethylpropylsulfanyl)ethyl]pyridine
CID 58756663
2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 66225834
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419402
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate
CID 55998995
2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
CID 71346411
2-(2-hexylsulfanylethyl)pyridine
CID 95562090

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide (CID 75418911) is N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CSCCc2ccccn2)o1.
What is the InChIKey of N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide?
The InChIKey is LRGOPBPTKUMRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-16(2)21(17,18)14-7-6-13(19-14)11-20-10-8-12-5-3-4-9-15-12/h3-7,9H,8,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide?
N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(2-pyridin-2-ylethylsulfanylmethyl)furan-2-sulfonamide is sourced from PubChem (CID 75418911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).