5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide

C9H16N2O4S — CID 83180119

IUPAC5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C9H16N2O4S/c1-7(4-5-12)11-16(13,14)9-3-2-8(6-10)15-9/h2-3,7,11-12H,4-6,10H2,1H3
InChIKeyZFJNZGBJEDQQAR-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.21
Rot. Bonds6

About 5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide

5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide (PubChem CID 83180119) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide
PubChem CID83180119
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C9H16N2O4S/c1-7(4-5-12)11-16(13,14)9-3-2-8(6-10)15-9/h2-3,7,11-12H,4-6,10H2,1H3
InChIKeyZFJNZGBJEDQQAR-UHFFFAOYSA-N
XLogP-0.21
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 83178330
5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide
CID 113486780
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83177701
5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
CID 114112494
N-[(2S)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride
CID 120713155
N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride
CID 120712867
2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83178059
5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176400
5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
CID 106162836
N-(4-hydroxybutan-2-yl)ethanesulfonamide
CID 78998775
4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
CID 83177341
N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 115477913

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide (CID 83180119) is 5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide is CC(CCO)NS(=O)(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide?
The InChIKey is ZFJNZGBJEDQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-7(4-5-12)11-16(13,14)9-3-2-8(6-10)15-9/h2-3,7,11-12H,4-6,10H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide?
5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide has a molecular weight of 248.30 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide is sourced from PubChem (CID 83180119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).