[(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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Related Compounds

[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2-methylpropanoate
CID 53241381
[(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2,2-dimethylpropanoate
CID 53241185
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
3,3-dimethyl-1-pyridin-3-ylsulfonylbutan-2-one
CID 58129199
[(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate
CID 53241187
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate
CID 83717033
tert-butyl N-[(4S)-4-chloro-4-pyridin-3-ylbutyl]-N-methylcarbamate
CID 163661402
tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate
CID 151516275
2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid
CID 66717803
tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate
CID 116861299
tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]-N-methylcarbamate;[(1S)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-pyridin-3-ylbutyl] methanesulfonate
CID 165036661

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).