4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid

C11H22N2O5S — CID 66236778

IUPAC4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCCCCN(C)S(=O)(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H22N2O5S/c1-4-5-6-12(2)19(16,17)13(3)10-8-18-7-9(10)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeySIPJZJVNGRBEGF-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.01
Rot. Bonds7

About 4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid

4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66236778) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66236778
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCCCCN(C)S(=O)(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H22N2O5S/c1-4-5-6-12(2)19(16,17)13(3)10-8-18-7-9(10)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeySIPJZJVNGRBEGF-UHFFFAOYSA-N
XLogP-0.01
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66266526
4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253595
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214
4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
CID 66236203
4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236776
4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
CID 66245265
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[azepan-1-ylsulfonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235556
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
CID 106454746
4-[(2-butylsulfanylacetyl)-methylamino]oxolane-3-carboxylic acid
CID 66235341
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid (CID 66236778) is 4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid is CCCCN(C)S(=O)(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is SIPJZJVNGRBEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-4-5-6-12(2)19(16,17)13(3)10-8-18-7-9(10)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).