[(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol

C6H14NOS+ — CID 15052250

IUPAC[(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol
SMILESC[N+]1(C)CSC[C@H]1CO
InChIInChI=1S/C6H14NOS/c1-7(2)5-9-4-6(7)3-8/h6,8H,3-5H2,1-2H3/q+1/t6-/m1/s1
InChIKeyMVUTZOWQSYYQMX-ZCFIWIBFSA-N
MW148.25 g/mol
LogP0.13
Rot. Bonds1

About [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol

[(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol (PubChem CID 15052250) has the molecular formula C6H14NOS+ and a molecular weight of 148.25 g/mol. Its IUPAC name is [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol
PubChem CID15052250
Molecular FormulaC6H14NOS+
Molecular Weight148.25 g/mol
Exact Mass148.08
IUPAC Name[(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol
SMILESC[N+]1(C)CSC[C@H]1CO
InChIInChI=1S/C6H14NOS/c1-7(2)5-9-4-6(7)3-8/h6,8H,3-5H2,1-2H3/q+1/t6-/m1/s1
InChIKeyMVUTZOWQSYYQMX-ZCFIWIBFSA-N
XLogP0.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol 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 [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol?
The IUPAC name of [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol (CID 15052250) is [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol.
What is the SMILES notation for [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol?
The canonical SMILES for [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol is C[N+]1(C)CSC[C@H]1CO.
What is the InChIKey of [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol?
The InChIKey is MVUTZOWQSYYQMX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14NOS/c1-7(2)5-9-4-6(7)3-8/h6,8H,3-5H2,1-2H3/q+1/t6-/m1/s1.
What are the key properties of [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol?
[(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol has a molecular weight of 148.25 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol is sourced from PubChem (CID 15052250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).