[(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide

C12H18N2O4S — CID 135359346

IUPAC[(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide
SMILESCC1(C)O[C@H](CS(N)(=O)=O)[C@H](c2ccccc2N)O1
InChIInChI=1S/C12H18N2O4S/c1-12(2)17-10(7-19(14,15)16)11(18-12)8-5-3-4-6-9(8)13/h3-6,10-11H,7,13H2,1-2H3,(H2,14,15,16)/t10-,11+/m1/s1
InChIKeyXHVUQYFSORVHNT-MNOVXSKESA-N
MW286.35 g/mol
LogP0.75
Rot. Bonds3

About [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide

[(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide (PubChem CID 135359346) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide
PubChem CID135359346
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name[(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide
SMILESCC1(C)O[C@H](CS(N)(=O)=O)[C@H](c2ccccc2N)O1
InChIInChI=1S/C12H18N2O4S/c1-12(2)17-10(7-19(14,15)16)11(18-12)8-5-3-4-6-9(8)13/h3-6,10-11H,7,13H2,1-2H3,(H2,14,15,16)/t10-,11+/m1/s1
InChIKeyXHVUQYFSORVHNT-MNOVXSKESA-N
XLogP0.75
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide 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 [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide?
The IUPAC name of [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide (CID 135359346) is [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide.
What is the SMILES notation for [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide?
The canonical SMILES for [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide is CC1(C)O[C@H](CS(N)(=O)=O)[C@H](c2ccccc2N)O1.
What is the InChIKey of [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide?
The InChIKey is XHVUQYFSORVHNT-MNOVXSKESA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-12(2)17-10(7-19(14,15)16)11(18-12)8-5-3-4-6-9(8)13/h3-6,10-11H,7,13H2,1-2H3,(H2,14,15,16)/t10-,11+/m1/s1.
What are the key properties of [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide?
[(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-(2-aminophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonamide is sourced from PubChem (CID 135359346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).