5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide

C12H22N2O5S — CID 102701246

IUPAC5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
SMILESCOCCNCc1ccc(S(=O)(=O)NCC(C)OC)o1
InChIInChI=1S/C12H22N2O5S/c1-10(18-3)8-14-20(15,16)12-5-4-11(19-12)9-13-6-7-17-2/h4-5,10,13-14H,6-9H2,1-3H3
InChIKeyQXDRSFKCWKPCAP-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.33
Rot. Bonds10

About 5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide

5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide (PubChem CID 102701246) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
PubChem CID102701246
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
SMILESCOCCNCc1ccc(S(=O)(=O)NCC(C)OC)o1
InChIInChI=1S/C12H22N2O5S/c1-10(18-3)8-14-20(15,16)12-5-4-11(19-12)9-13-6-7-17-2/h4-5,10,13-14H,6-9H2,1-3H3
InChIKeyQXDRSFKCWKPCAP-UHFFFAOYSA-N
XLogP0.33
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 102701241
N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
CID 104766789
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 81063705
N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 106410031
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
CID 106245527
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287
N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
CID 83025121
5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
CID 106162836
N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
CID 106177091
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
CID 82940349
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide (CID 102701246) is 5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide is COCCNCc1ccc(S(=O)(=O)NCC(C)OC)o1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide?
The InChIKey is QXDRSFKCWKPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-10(18-3)8-14-20(15,16)12-5-4-11(19-12)9-13-6-7-17-2/h4-5,10,13-14H,6-9H2,1-3H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide?
5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide has a molecular weight of 306.38 g/mol, XLogP of 0.33, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide is sourced from PubChem (CID 102701246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).