methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate

C9H19NO5S — CID 79387983

IUPACmethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC(=O)OC
InChIInChI=1S/C9H19NO5S/c1-5-10(7-9(2,3)12)16(13,14)6-8(11)15-4/h12H,5-7H2,1-4H3
InChIKeyPTGFNMQWCYITCZ-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.42
Rot. Bonds6

About methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate

methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate (PubChem CID 79387983) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate
PubChem CID79387983
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Namemethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC(=O)OC
InChIInChI=1S/C9H19NO5S/c1-5-10(7-9(2,3)12)16(13,14)6-8(11)15-4/h12H,5-7H2,1-4H3
InChIKeyPTGFNMQWCYITCZ-UHFFFAOYSA-N
XLogP-0.42
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate (CID 79387983) is methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate is CCN(CC(C)(C)O)S(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate?
The InChIKey is PTGFNMQWCYITCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-5-10(7-9(2,3)12)16(13,14)6-8(11)15-4/h12H,5-7H2,1-4H3.
What are the key properties of methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate?
methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate has a molecular weight of 253.32 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]acetate is sourced from PubChem (CID 79387983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).