1-(2,2-dimethylpropylsulfonyl)azetidine

C8H17NO2S — CID 58756698

IUPAC1-(2,2-dimethylpropylsulfonyl)azetidine
SMILESCC(C)(C)CS(=O)(=O)N1CCC1
InChIInChI=1S/C8H17NO2S/c1-8(2,3)7-12(10,11)9-5-4-6-9/h4-7H2,1-3H3
InChIKeyQTLIQKMJIVOUTE-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds2

About 1-(2,2-dimethylpropylsulfonyl)azetidine

1-(2,2-dimethylpropylsulfonyl)azetidine (PubChem CID 58756698) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonyl)azetidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonyl)azetidine
PubChem CID58756698
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-(2,2-dimethylpropylsulfonyl)azetidine
SMILESCC(C)(C)CS(=O)(=O)N1CCC1
InChIInChI=1S/C8H17NO2S/c1-8(2,3)7-12(10,11)9-5-4-6-9/h4-7H2,1-3H3
InChIKeyQTLIQKMJIVOUTE-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylsulfonyl)azetidine?
The IUPAC name of 1-(2,2-dimethylpropylsulfonyl)azetidine (CID 58756698) is 1-(2,2-dimethylpropylsulfonyl)azetidine.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonyl)azetidine?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonyl)azetidine is CC(C)(C)CS(=O)(=O)N1CCC1.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonyl)azetidine?
The InChIKey is QTLIQKMJIVOUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2,3)7-12(10,11)9-5-4-6-9/h4-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonyl)azetidine?
1-(2,2-dimethylpropylsulfonyl)azetidine 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 1-(2,2-dimethylpropylsulfonyl)azetidine is sourced from PubChem (CID 58756698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).