5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide

C12H22N2O4S — CID 79266874

IUPAC5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N[C@H](CO)C(C)C)o1
InChIInChI=1S/C12H22N2O4S/c1-4-13-7-10-5-6-12(18-10)19(16,17)14-11(8-15)9(2)3/h5-6,9,11,13-15H,4,7-8H2,1-3H3/t11-/m1/s1
InChIKeyOUEVVIBBTXWJHZ-LLVKDONJSA-N
MW290.39 g/mol
LogP0.68
Rot. Bonds8

About 5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide

5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide (PubChem CID 79266874) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
PubChem CID79266874
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N[C@H](CO)C(C)C)o1
InChIInChI=1S/C12H22N2O4S/c1-4-13-7-10-5-6-12(18-10)19(16,17)14-11(8-15)9(2)3/h5-6,9,11,13-15H,4,7-8H2,1-3H3/t11-/m1/s1
InChIKeyOUEVVIBBTXWJHZ-LLVKDONJSA-N
XLogP0.68
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide
CID 106028474
5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
CID 106162836
5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218501
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61470642
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714
5-(ethylaminomethyl)-N-pyridin-2-ylfuran-2-sulfonamide
CID 106082609
5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide
CID 106215501
N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
CID 103504076

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide (CID 79266874) is 5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)N[C@H](CO)C(C)C)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide?
The InChIKey is OUEVVIBBTXWJHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-4-13-7-10-5-6-12(18-10)19(16,17)14-11(8-15)9(2)3/h5-6,9,11,13-15H,4,7-8H2,1-3H3/t11-/m1/s1.
What are the key properties of 5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide?
5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide is sourced from PubChem (CID 79266874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).