4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid

C10H19NO6S — CID 66236776

IUPAC4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCOCCCS(=O)(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C10H19NO6S/c1-11(18(14,15)5-3-4-16-2)9-7-17-6-8(9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyCGXLVUSPQNCTMY-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.62
Rot. Bonds7

About 4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid

4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66236776) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66236776
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Name4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCOCCCS(=O)(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C10H19NO6S/c1-11(18(14,15)5-3-4-16-2)9-7-17-6-8(9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyCGXLVUSPQNCTMY-UHFFFAOYSA-N
XLogP-0.62
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252056
4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236778
4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
CID 66236203
4-[azepan-1-ylsulfonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235556
N-(2-aminocyclohexyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 102639350
4-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]oxolane-3-carboxylic acid
CID 106991480
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265735
4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214
4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
CID 66251760
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246734
4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267313

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid (CID 66236776) is 4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid is COCCCS(=O)(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is CGXLVUSPQNCTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-11(18(14,15)5-3-4-16-2)9-7-17-6-8(9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid?
4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of -0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).