5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide

C12H22N2O5S — CID 106162836

IUPAC5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(CCO)COC)o1
InChIInChI=1S/C12H22N2O5S/c1-3-13-8-11-4-5-12(19-11)20(16,17)14-10(6-7-15)9-18-2/h4-5,10,13-15H,3,6-9H2,1-2H3
InChIKeyXPOFLHHNVYFTLV-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.06
Rot. Bonds10

About 5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide

5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide (PubChem CID 106162836) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
PubChem CID106162836
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(CCO)COC)o1
InChIInChI=1S/C12H22N2O5S/c1-3-13-8-11-4-5-12(19-11)20(16,17)14-10(6-7-15)9-18-2/h4-5,10,13-15H,3,6-9H2,1-2H3
InChIKeyXPOFLHHNVYFTLV-UHFFFAOYSA-N
XLogP0.06
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide
CID 106028474
5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
CID 79266874
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688
5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218501
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103887495
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
CID 106245527
5-(ethylaminomethyl)-N-(2-methoxyphenyl)furan-2-sulfonamide
CID 106045113
N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 83178330
4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103861314

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide (CID 106162836) is 5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NC(CCO)COC)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide?
The InChIKey is XPOFLHHNVYFTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-3-13-8-11-4-5-12(19-11)20(16,17)14-10(6-7-15)9-18-2/h4-5,10,13-15H,3,6-9H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide?
5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide has a molecular weight of 306.38 g/mol, XLogP of 0.06, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide is sourced from PubChem (CID 106162836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).