(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol

C10H16NO3S+ — CID 10429786

IUPAC(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol
SMILESC[n+]1ccsc1[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H16NO3S/c1-10(2)13-6-7(14-10)8(12)9-11(3)4-5-15-9/h4-5,7-8,12H,6H2,1-3H3/q+1/t7-,8-/m1/s1
InChIKeySYPYNONKNIDRNX-HTQZYQBOSA-N
MW230.31 g/mol
LogP0.76
Rot. Bonds2

About (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol

(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol (PubChem CID 10429786) has the molecular formula C10H16NO3S+ and a molecular weight of 230.31 g/mol. Its IUPAC name is (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol.

Molecular Properties

Compound Name(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol
PubChem CID10429786
Molecular FormulaC10H16NO3S+
Molecular Weight230.31 g/mol
Exact Mass230.08
IUPAC Name(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol
SMILESC[n+]1ccsc1[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H16NO3S/c1-10(2)13-6-7(14-10)8(12)9-11(3)4-5-15-9/h4-5,7-8,12H,6H2,1-3H3/q+1/t7-,8-/m1/s1
InChIKeySYPYNONKNIDRNX-HTQZYQBOSA-N
XLogP0.76
TPSA42.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol?
The IUPAC name of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol (CID 10429786) is (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol.
What is the SMILES notation for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol?
The canonical SMILES for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol is C[n+]1ccsc1[C@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol?
The InChIKey is SYPYNONKNIDRNX-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16NO3S/c1-10(2)13-6-7(14-10)8(12)9-11(3)4-5-15-9/h4-5,7-8,12H,6H2,1-3H3/q+1/t7-,8-/m1/s1.
What are the key properties of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol?
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol has a molecular weight of 230.31 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol is sourced from PubChem (CID 10429786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).