2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride

C10H16ClNO4S — CID 64666174

IUPAC2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
SMILESCC(C)C1CC2(CCO1)CC(=O)N2S(=O)(=O)Cl
InChIInChI=1S/C10H16ClNO4S/c1-7(2)8-5-10(3-4-16-8)6-9(13)12(10)17(11,14)15/h7-8H,3-6H2,1-2H3
InChIKeyOAIVTTDLTJZEPZ-UHFFFAOYSA-N
MW281.76 g/mol
LogP1.28
Rot. Bonds2

About 2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride

2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride (PubChem CID 64666174) has the molecular formula C10H16ClNO4S and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
PubChem CID64666174
Molecular FormulaC10H16ClNO4S
Molecular Weight281.76 g/mol
Exact Mass281.05
IUPAC Name2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
SMILESCC(C)C1CC2(CCO1)CC(=O)N2S(=O)(=O)Cl
InChIInChI=1S/C10H16ClNO4S/c1-7(2)8-5-10(3-4-16-8)6-9(13)12(10)17(11,14)15/h7-8H,3-6H2,1-2H3
InChIKeyOAIVTTDLTJZEPZ-UHFFFAOYSA-N
XLogP1.28
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The IUPAC name of 2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride (CID 64666174) is 2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride.
What is the SMILES notation for 2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The canonical SMILES for 2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride is CC(C)C1CC2(CCO1)CC(=O)N2S(=O)(=O)Cl.
What is the InChIKey of 2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
The InChIKey is OAIVTTDLTJZEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO4S/c1-7(2)8-5-10(3-4-16-8)6-9(13)12(10)17(11,14)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride?
2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride has a molecular weight of 281.76 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride is sourced from PubChem (CID 64666174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).