[2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid

C10H16N2O5S2 — CID 122638343

IUPAC[2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid
SMILESCc1ncsc1C1OC(C)(C)OC1N(C)S(=O)(=O)O
InChIInChI=1S/C10H16N2O5S2/c1-6-8(18-5-11-6)7-9(12(4)19(13,14)15)17-10(2,3)16-7/h5,7,9H,1-4H3,(H,13,14,15)
InChIKeyVZRBINOBHASPDO-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.34
Rot. Bonds3

About [2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid

[2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid (PubChem CID 122638343) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is [2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid.

Molecular Properties

Compound Name[2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid
PubChem CID122638343
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name[2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid
SMILESCc1ncsc1C1OC(C)(C)OC1N(C)S(=O)(=O)O
InChIInChI=1S/C10H16N2O5S2/c1-6-8(18-5-11-6)7-9(12(4)19(13,14)15)17-10(2,3)16-7/h5,7,9H,1-4H3,(H,13,14,15)
InChIKeyVZRBINOBHASPDO-UHFFFAOYSA-N
XLogP1.34
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid?
The IUPAC name of [2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid (CID 122638343) is [2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid.
What is the SMILES notation for [2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid?
The canonical SMILES for [2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid is Cc1ncsc1C1OC(C)(C)OC1N(C)S(=O)(=O)O.
What is the InChIKey of [2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid?
The InChIKey is VZRBINOBHASPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-6-8(18-5-11-6)7-9(12(4)19(13,14)15)17-10(2,3)16-7/h5,7,9H,1-4H3,(H,13,14,15).
What are the key properties of [2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid?
[2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid has a molecular weight of 308.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid is sourced from PubChem (CID 122638343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).