4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide

C11H20N2O3S — CID 54958432

IUPAC4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)CCCCN)o1
InChIInChI=1S/C11H20N2O3S/c1-9-5-6-11(16-9)10(2)13-17(14,15)8-4-3-7-12/h5-6,10,13H,3-4,7-8,12H2,1-2H3
InChIKeyHYIVJDNCJWHHEH-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.31
Rot. Bonds7

About 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide

4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide (PubChem CID 54958432) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
PubChem CID54958432
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)CCCCN)o1
InChIInChI=1S/C11H20N2O3S/c1-9-5-6-11(16-9)10(2)13-17(14,15)8-4-3-7-12/h5-6,10,13H,3-4,7-8,12H2,1-2H3
InChIKeyHYIVJDNCJWHHEH-UHFFFAOYSA-N
XLogP1.31
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 106003380
1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide
CID 83084663
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide
CID 106003944
N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide
CID 75504665
5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106003394
3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 65092779
N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]ethanesulfonamide
CID 102676052
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418
2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
CID 106003416

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide (CID 54958432) is 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)CCCCN)o1.
What is the InChIKey of 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide?
The InChIKey is HYIVJDNCJWHHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-9-5-6-11(16-9)10(2)13-17(14,15)8-4-3-7-12/h5-6,10,13H,3-4,7-8,12H2,1-2H3.
What are the key properties of 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide?
4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 54958432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).