N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide

C12H17NO4S — CID 114109779

IUPACN-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2ccc(C=O)o2)CCC1
InChIInChI=1S/C12H17NO4S/c1-2-12(6-3-7-12)9-13-18(15,16)11-5-4-10(8-14)17-11/h4-5,8,13H,2-3,6-7,9H2,1H3
InChIKeyLTODZEMZBKXBMC-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.95
Rot. Bonds6

About N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide

N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide (PubChem CID 114109779) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide
PubChem CID114109779
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2ccc(C=O)o2)CCC1
InChIInChI=1S/C12H17NO4S/c1-2-12(6-3-7-12)9-13-18(15,16)11-5-4-10(8-14)17-11/h4-5,8,13H,2-3,6-7,9H2,1H3
InChIKeyLTODZEMZBKXBMC-UHFFFAOYSA-N
XLogP1.95
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide
CID 103968565
5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide
CID 114120943
2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide
CID 114264441
5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 115366259
5-formyl-N-(2,2,3,3-tetrafluoropropyl)furan-2-sulfonamide
CID 106295742
5-formyl-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
CID 114148606
5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide
CID 113490916
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide
CID 106304253
5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433441
5-formyl-N-[3-(2-hydroxyethoxy)propyl]furan-2-sulfonamide
CID 114172010
N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide
CID 44754696

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide (CID 114109779) is N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide is CCC1(CNS(=O)(=O)c2ccc(C=O)o2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide?
The InChIKey is LTODZEMZBKXBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-2-12(6-3-7-12)9-13-18(15,16)11-5-4-10(8-14)17-11/h4-5,8,13H,2-3,6-7,9H2,1H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide?
N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide is sourced from PubChem (CID 114109779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).