5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide

C13H22N2O4S — CID 106367875

IUPAC5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCCC2CO)o1
InChIInChI=1S/C13H22N2O4S/c1-2-14-8-11-6-7-13(19-11)20(17,18)15-12-5-3-4-10(12)9-16/h6-7,10,12,14-16H,2-5,8-9H2,1H3
InChIKeyYACAAZTWZWZRGJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.83
Rot. Bonds7

About 5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide

5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide (PubChem CID 106367875) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide
PubChem CID106367875
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCCC2CO)o1
InChIInChI=1S/C13H22N2O4S/c1-2-14-8-11-6-7-13(19-11)20(17,18)15-12-5-3-4-10(12)9-16/h6-7,10,12,14-16H,2-5,8-9H2,1H3
InChIKeyYACAAZTWZWZRGJ-UHFFFAOYSA-N
XLogP0.83
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-Benzenesulfonylamino-acetyl)-cyclopentyl-amino]-N-furan-2-ylmethyl-3-methyl-butyramide
CID 653272
N-(2-furylmethyl)-3-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylpentanamide
CID 3237109
2-[(2-Benzenesulfonylamino-acetyl)-furan-2-ylmethyl-amino]-N-cyclopentyl-3-methyl-butyramide
CID 3206786
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 53607813
3-[1-(furan-2-ylmethylamino)ethyl]-N-methylbenzenesulfonamide
CID 56824134
N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide
CID 56824135
1-N-butan-2-yl-4-N-cyclopentyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-disulfonamide
CID 3189842
5-(dimethylsulfamoyl)-N-(1-hydroxy-2-methylpropan-2-yl)furan-2-carboxamide
CID 43500852
3-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 72121831
N-[(5-methylfuran-2-yl)methyl]-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97138404
N-[(5-methylfuran-2-yl)methyl]-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97200663
5-[[[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]amino]methyl]furan-2-sulfonamide
CID 164634635

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide (CID 106367875) is 5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NC2CCCC2CO)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide?
The InChIKey is YACAAZTWZWZRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-2-14-8-11-6-7-13(19-11)20(17,18)15-12-5-3-4-10(12)9-16/h6-7,10,12,14-16H,2-5,8-9H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide?
5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide is sourced from PubChem (CID 106367875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).