N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide

C6H9NO4S — CID 138628454

IUPACN-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide
SMILESCc1ccoc1CS(=O)(=O)NO
InChIInChI=1S/C6H9NO4S/c1-5-2-3-11-6(5)4-12(9,10)7-8/h2-3,7-8H,4H2,1H3
InChIKeyHVENHYQVPSQMSU-UHFFFAOYSA-N
MW191.21 g/mol
LogP0.40
Rot. Bonds3

About N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide

N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide (PubChem CID 138628454) has the molecular formula C6H9NO4S and a molecular weight of 191.21 g/mol. Its IUPAC name is N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide
PubChem CID138628454
Molecular FormulaC6H9NO4S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC NameN-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide
SMILESCc1ccoc1CS(=O)(=O)NO
InChIInChI=1S/C6H9NO4S/c1-5-2-3-11-6(5)4-12(9,10)7-8/h2-3,7-8H,4H2,1H3
InChIKeyHVENHYQVPSQMSU-UHFFFAOYSA-N
XLogP0.40
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-methylfuran;methane
CID 160795170
N-[(3-methylfuran-2-yl)methyl]-2-methylsulfonylethanamine
CID 115652921
(E)-3-[(3-methylfuran-2-yl)methylamino]prop-2-enoic acid
CID 130597781
dimethyl 2-[(3-methylfuran-2-yl)methyl]propanedioate
CID 15324934
(3-methylfuran-2-yl)methylthiourea
CID 130597728
N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide
CID 115652579
3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
CID 130597720
(4S,5S)-4-hydroxy-4,6,6-trimethyl-5-[(3-methylfuran-2-yl)methyl]cyclohex-2-en-1-one
CID 25243607
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
10-(3-methylfuran-2-yl)decan-1-ol
CID 10331789
4-(3-methylfuran-2-yl)-3-oxobutanenitrile
CID 11378673

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide?
The IUPAC name of N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide (CID 138628454) is N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide.
What is the SMILES notation for N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide?
The canonical SMILES for N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide is Cc1ccoc1CS(=O)(=O)NO.
What is the InChIKey of N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide?
The InChIKey is HVENHYQVPSQMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4S/c1-5-2-3-11-6(5)4-12(9,10)7-8/h2-3,7-8H,4H2,1H3.
What are the key properties of N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide?
N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide has a molecular weight of 191.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(3-methylfuran-2-yl)methanesulfonamide is sourced from PubChem (CID 138628454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).