5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide

C15H28N2O3S — CID 106028474

IUPAC5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1ccc(CNCC)o1
InChIInChI=1S/C15H28N2O3S/c1-4-7-9-13(8-5-2)17-21(18,19)15-11-10-14(20-15)12-16-6-3/h10-11,13,16-17H,4-9,12H2,1-3H3
InChIKeyBWUFCHHUWRRDQR-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.03
Rot. Bonds11

About 5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide

5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide (PubChem CID 106028474) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide
PubChem CID106028474
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1ccc(CNCC)o1
InChIInChI=1S/C15H28N2O3S/c1-4-7-9-13(8-5-2)17-21(18,19)15-11-10-14(20-15)12-16-6-3/h10-11,13,16-17H,4-9,12H2,1-3H3
InChIKeyBWUFCHHUWRRDQR-UHFFFAOYSA-N
XLogP3.03
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
CID 106162836
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
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218501
5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide
CID 106367875
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
5-(ethylaminomethyl)-N-pyridin-2-ylfuran-2-sulfonamide
CID 106082609
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714
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-octan-4-ylfuran-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide (CID 106028474) is 5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide is CCCCC(CCC)NS(=O)(=O)c1ccc(CNCC)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide?
The InChIKey is BWUFCHHUWRRDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-4-7-9-13(8-5-2)17-21(18,19)15-11-10-14(20-15)12-16-6-3/h10-11,13,16-17H,4-9,12H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide?
5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 3.03, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide is sourced from PubChem (CID 106028474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).