7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride

C8H12ClNO3S — CID 130555346

IUPAC7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride
SMILESCC1(C)CCC12CC(=O)N2S(=O)(=O)Cl
InChIInChI=1S/C8H12ClNO3S/c1-7(2)3-4-8(7)5-6(11)10(8)14(9,12)13/h3-5H2,1-2H3
InChIKeyRWUODAVMPCNMFH-UHFFFAOYSA-N
MW237.71 g/mol
LogP1.26
Rot. Bonds1

About 7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride

7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride (PubChem CID 130555346) has the molecular formula C8H12ClNO3S and a molecular weight of 237.71 g/mol. Its IUPAC name is 7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride.

Molecular Properties

Compound Name7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride
PubChem CID130555346
Molecular FormulaC8H12ClNO3S
Molecular Weight237.71 g/mol
Exact Mass237.02
IUPAC Name7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride
SMILESCC1(C)CCC12CC(=O)N2S(=O)(=O)Cl
InChIInChI=1S/C8H12ClNO3S/c1-7(2)3-4-8(7)5-6(11)10(8)14(9,12)13/h3-5H2,1-2H3
InChIKeyRWUODAVMPCNMFH-UHFFFAOYSA-N
XLogP1.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride?
The IUPAC name of 7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride (CID 130555346) is 7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride.
What is the SMILES notation for 7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride?
The canonical SMILES for 7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride is CC1(C)CCC12CC(=O)N2S(=O)(=O)Cl.
What is the InChIKey of 7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride?
The InChIKey is RWUODAVMPCNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO3S/c1-7(2)3-4-8(7)5-6(11)10(8)14(9,12)13/h3-5H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride?
7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride has a molecular weight of 237.71 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride is sourced from PubChem (CID 130555346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).