3,3-dimethyl-1-propan-2-ylsulfonylazetidine

C8H17NO2S — CID 130615672

IUPAC3,3-dimethyl-1-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)N1CC(C)(C)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)12(10,11)9-5-8(3,4)6-9/h7H,5-6H2,1-4H3
InChIKeyHVIWIODXDUHJMK-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds2

About 3,3-dimethyl-1-propan-2-ylsulfonylazetidine

3,3-dimethyl-1-propan-2-ylsulfonylazetidine (PubChem CID 130615672) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3,3-dimethyl-1-propan-2-ylsulfonylazetidine
PubChem CID130615672
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3,3-dimethyl-1-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)N1CC(C)(C)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)12(10,11)9-5-8(3,4)6-9/h7H,5-6H2,1-4H3
InChIKeyHVIWIODXDUHJMK-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylsulfonyl azetidine
CID 70663315
1-(2,2-Dimethylpropylsulfonyl)-3,3-difluoroazetidine
CID 167544020
1-(2,2-Dimethylpropylsulfonyl)-3-fluoro-3-methylazetidine
CID 167557218
3-Fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
CID 130639090
3-Fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine
CID 130657588
1-Ethylsulfonyl-3-fluoro-3-methylazetidine
CID 130991379
3-Fluoro-3-methyl-1-propylsulfonylazetidine
CID 131177035
1-Tert-butylsulfonyl-3-fluoro-3-methylazetidine
CID 157343361
2-Propylthiazetidine 1,1-dioxide
CID 12959044
N-methyl-N-(2-methylpropyl)propane-2-sulfonamide
CID 18343503
N-butyl-2,2-dimethyl-N-propylpropane-1-sulfonamide
CID 18736028
N,N-dibutyl-2,2-dimethylpropane-1-sulfonamide
CID 18736162

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-ylsulfonylazetidine?
The IUPAC name of 3,3-dimethyl-1-propan-2-ylsulfonylazetidine (CID 130615672) is 3,3-dimethyl-1-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3,3-dimethyl-1-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3,3-dimethyl-1-propan-2-ylsulfonylazetidine is CC(C)S(=O)(=O)N1CC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-propan-2-ylsulfonylazetidine?
The InChIKey is HVIWIODXDUHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)12(10,11)9-5-8(3,4)6-9/h7H,5-6H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-propan-2-ylsulfonylazetidine?
3,3-dimethyl-1-propan-2-ylsulfonylazetidine has a molecular weight of 191.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 130615672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).