N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H20N2O6S — CID 162872561

IUPACN-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOCC1CC(NS(=O)(=O)c2c(C)noc2C)C(O)C1O
InChIInChI=1S/C12H20N2O6S/c1-6-12(7(2)20-13-6)21(17,18)14-9-4-8(5-19-3)10(15)11(9)16/h8-11,14-16H,4-5H2,1-3H3
InChIKeyOIUYYPNCYNVLAS-UHFFFAOYSA-N
MW320.37 g/mol
LogP-0.67
Rot. Bonds5

About N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 162872561) has the molecular formula C12H20N2O6S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID162872561
Molecular FormulaC12H20N2O6S
Molecular Weight320.37 g/mol
Exact Mass320.10
IUPAC NameN-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOCC1CC(NS(=O)(=O)c2c(C)noc2C)C(O)C1O
InChIInChI=1S/C12H20N2O6S/c1-6-12(7(2)20-13-6)21(17,18)14-9-4-8(5-19-3)10(15)11(9)16/h8-11,14-16H,4-5H2,1-3H3
InChIKeyOIUYYPNCYNVLAS-UHFFFAOYSA-N
XLogP-0.67
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 162872561) is N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COCC1CC(NS(=O)(=O)c2c(C)noc2C)C(O)C1O.
What is the InChIKey of N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is OIUYYPNCYNVLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6S/c1-6-12(7(2)20-13-6)21(17,18)14-9-4-8(5-19-3)10(15)11(9)16/h8-11,14-16H,4-5H2,1-3H3.
What are the key properties of N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 162872561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).