(2-ethyl-4-methoxypentanoyl)sulfamic acid

C8H17NO5S — CID 58965851

IUPAC(2-ethyl-4-methoxypentanoyl)sulfamic acid
SMILESCCC(CC(C)OC)C(=O)NS(=O)(=O)O
InChIInChI=1S/C8H17NO5S/c1-4-7(5-6(2)14-3)8(10)9-15(11,12)13/h6-7H,4-5H2,1-3H3,(H,9,10)(H,11,12,13)
InChIKeyIOYGYANAVPFDHP-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.36
Rot. Bonds6

About (2-ethyl-4-methoxypentanoyl)sulfamic acid

(2-ethyl-4-methoxypentanoyl)sulfamic acid (PubChem CID 58965851) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is (2-ethyl-4-methoxypentanoyl)sulfamic acid.

Molecular Properties

Compound Name(2-ethyl-4-methoxypentanoyl)sulfamic acid
PubChem CID58965851
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name(2-ethyl-4-methoxypentanoyl)sulfamic acid
SMILESCCC(CC(C)OC)C(=O)NS(=O)(=O)O
InChIInChI=1S/C8H17NO5S/c1-4-7(5-6(2)14-3)8(10)9-15(11,12)13/h6-7H,4-5H2,1-3H3,(H,9,10)(H,11,12,13)
InChIKeyIOYGYANAVPFDHP-UHFFFAOYSA-N
XLogP0.36
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2-ethyl-4-methoxypentanoyl)sulfamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-methylsulfonylpentanamide;hydrochloride
CID 142463434
2-methyl-2-[[2-methyl-4,6-bis[(2-methyl-1-sulfopropan-2-yl)carbamoyl]octanoyl]amino]propane-1-sulfonic acid
CID 102423776
methanol;5-methoxyhexan-3-ol
CID 171659791
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
N-(1,3-dimethoxybutyl)acetamide
CID 22123473
2-methyl-N-methylsulfonylbutanamide
CID 18336288
2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide
CID 89382357
2-ethyl-N-methylpentanamide
CID 55287466
methyl 4-[(2-ethyl-4-methylpentanoyl)amino]-2-methylbutanoate
CID 21364483
methane;6-methoxy-2,5,5-trimethyl-6-oxo-3-(sulfocarbamoyl)hexanoic acid
CID 157250252
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
3-(2-methoxypropyl)-N,N'-dimethylpentanediamide
CID 141238561

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methoxypentanoyl)sulfamic acid?
The IUPAC name of (2-ethyl-4-methoxypentanoyl)sulfamic acid (CID 58965851) is (2-ethyl-4-methoxypentanoyl)sulfamic acid.
What is the SMILES notation for (2-ethyl-4-methoxypentanoyl)sulfamic acid?
The canonical SMILES for (2-ethyl-4-methoxypentanoyl)sulfamic acid is CCC(CC(C)OC)C(=O)NS(=O)(=O)O.
What is the InChIKey of (2-ethyl-4-methoxypentanoyl)sulfamic acid?
The InChIKey is IOYGYANAVPFDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-4-7(5-6(2)14-3)8(10)9-15(11,12)13/h6-7H,4-5H2,1-3H3,(H,9,10)(H,11,12,13).
What are the key properties of (2-ethyl-4-methoxypentanoyl)sulfamic acid?
(2-ethyl-4-methoxypentanoyl)sulfamic acid has a molecular weight of 239.29 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methoxypentanoyl)sulfamic acid is sourced from PubChem (CID 58965851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).