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

C6H14NOS+ — CID 19799085

IUPAC(3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol
SMILESC[N+]1(C)CSCC1CO
InChIInChI=1S/C6H14NOS/c1-7(2)5-9-4-6(7)3-8/h6,8H,3-5H2,1-2H3/q+1
InChIKeyMVUTZOWQSYYQMX-UHFFFAOYSA-N
MW148.25 g/mol
LogP0.13
Rot. Bonds1

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

(3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol (PubChem CID 19799085) has the molecular formula C6H14NOS+ and a molecular weight of 148.25 g/mol. Its IUPAC name is (3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol.

Molecular Properties

Compound Name(3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol
PubChem CID19799085
Molecular FormulaC6H14NOS+
Molecular Weight148.25 g/mol
Exact Mass148.08
IUPAC Name(3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol
SMILESC[N+]1(C)CSCC1CO
InChIInChI=1S/C6H14NOS/c1-7(2)5-9-4-6(7)3-8/h6,8H,3-5H2,1-2H3/q+1
InChIKeyMVUTZOWQSYYQMX-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol?
The IUPAC name of (3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol (CID 19799085) is (3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol.
What is the SMILES notation for (3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol?
The canonical SMILES for (3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol is C[N+]1(C)CSCC1CO.
What is the InChIKey of (3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol?
The InChIKey is MVUTZOWQSYYQMX-UHFFFAOYSA-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.
What are the key properties of (3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol?
(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 (3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol is sourced from PubChem (CID 19799085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).