2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid

C9H17NO6S — CID 122471321

IUPAC2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid
SMILESCC1(C)OC(CS(N)(=O)=O)C[C@H](CC(=O)O)O1
InChIInChI=1S/C9H17NO6S/c1-9(2)15-6(4-8(11)12)3-7(16-9)5-17(10,13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H2,10,13,14)/t6-,7?/m1/s1
InChIKeySQLUEFBSXCQHCR-ULUSZKPHSA-N
MW267.30 g/mol
LogP-0.34
Rot. Bonds4

About 2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid

2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid (PubChem CID 122471321) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid
PubChem CID122471321
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid
SMILESCC1(C)OC(CS(N)(=O)=O)C[C@H](CC(=O)O)O1
InChIInChI=1S/C9H17NO6S/c1-9(2)15-6(4-8(11)12)3-7(16-9)5-17(10,13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H2,10,13,14)/t6-,7?/m1/s1
InChIKeySQLUEFBSXCQHCR-ULUSZKPHSA-N
XLogP-0.34
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid (CID 122471321) is 2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid is CC1(C)OC(CS(N)(=O)=O)C[C@H](CC(=O)O)O1.
What is the InChIKey of 2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid?
The InChIKey is SQLUEFBSXCQHCR-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-9(2)15-6(4-8(11)12)3-7(16-9)5-17(10,13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H2,10,13,14)/t6-,7?/m1/s1.
What are the key properties of 2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid?
2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid has a molecular weight of 267.30 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid is sourced from PubChem (CID 122471321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).