[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate

C15H22N2O6S — CID 53241380

IUPAC[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate
SMILESCC(C)(C)OC(=O)N(OC(=O)C(C)(C)C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C15H22N2O6S/c1-14(2,3)12(18)23-17(13(19)22-15(4,5)6)24(20,21)11-8-7-9-16-10-11/h7-10H,1-6H3
InChIKeyHNQIDAURBPOTLI-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.51
Rot. Bonds2

About [(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate

[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate (PubChem CID 53241380) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is [(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate
PubChem CID53241380
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Name[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate
SMILESCC(C)(C)OC(=O)N(OC(=O)C(C)(C)C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C15H22N2O6S/c1-14(2,3)12(18)23-17(13(19)22-15(4,5)6)24(20,21)11-8-7-9-16-10-11/h7-10H,1-6H3
InChIKeyHNQIDAURBPOTLI-UHFFFAOYSA-N
XLogP2.51
TPSA102.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate?
The IUPAC name of [(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate (CID 53241380) is [(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate?
The canonical SMILES for [(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate is CC(C)(C)OC(=O)N(OC(=O)C(C)(C)C)S(=O)(=O)c1cccnc1.
What is the InChIKey of [(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate?
The InChIKey is HNQIDAURBPOTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-14(2,3)12(18)23-17(13(19)22-15(4,5)6)24(20,21)11-8-7-9-16-10-11/h7-10H,1-6H3.
What are the key properties of [(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate?
[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate has a molecular weight of 358.42 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate is sourced from PubChem (CID 53241380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).