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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
CID 64665755
6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664495
6-methyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664276
6,6,8-trimethyl-2-oxo-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664074
2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride
CID 64665752
2-oxo-6-propan-2-yl-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64666174
2-ethyl-4-oxo-2-phenylazetidine-1-sulfonyl chloride
CID 64664704
(3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride
CID 130681680
4-(dimethylamino)-4-methylpiperidine-1-sulfonyl chloride
CID 165491287
1,6,6-trimethylpiperidine-2,4-dione
CID 14800180
ethane;1,4,4-trimethylpiperidin-2-one
CID 143025002
sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 18963492

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).