2-(oxan-3-ylmethylsulfamoyl)propanoic acid

C9H17NO5S — CID 61457739

IUPAC2-(oxan-3-ylmethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C9H17NO5S/c1-7(9(11)12)16(13,14)10-5-8-3-2-4-15-6-8/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyXLRZDIJOCCRKOI-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.19
Rot. Bonds5

About 2-(oxan-3-ylmethylsulfamoyl)propanoic acid

2-(oxan-3-ylmethylsulfamoyl)propanoic acid (PubChem CID 61457739) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(oxan-3-ylmethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(oxan-3-ylmethylsulfamoyl)propanoic acid
PubChem CID61457739
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-(oxan-3-ylmethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C9H17NO5S/c1-7(9(11)12)16(13,14)10-5-8-3-2-4-15-6-8/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyXLRZDIJOCCRKOI-UHFFFAOYSA-N
XLogP-0.19
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dioxan-2-ylmethylsulfamoyl)propanoic acid
CID 61457773
2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide
CID 170285778
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
CID 106016509
4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056
5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804859
4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320408
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide
CID 54961583
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 54937723

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylmethylsulfamoyl)propanoic acid?
The IUPAC name of 2-(oxan-3-ylmethylsulfamoyl)propanoic acid (CID 61457739) is 2-(oxan-3-ylmethylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(oxan-3-ylmethylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(oxan-3-ylmethylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NCC1CCCOC1.
What is the InChIKey of 2-(oxan-3-ylmethylsulfamoyl)propanoic acid?
The InChIKey is XLRZDIJOCCRKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-7(9(11)12)16(13,14)10-5-8-3-2-4-15-6-8/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(oxan-3-ylmethylsulfamoyl)propanoic acid?
2-(oxan-3-ylmethylsulfamoyl)propanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylmethylsulfamoyl)propanoic acid is sourced from PubChem (CID 61457739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).