1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine

C11H23NO2S — CID 148942699

IUPAC1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine
SMILESCC(C)S(=O)(=O)CC1CN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO2S/c1-9(2)15(13,14)8-10-6-12(7-10)11(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyPOFKRJONRQAITJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.54
Rot. Bonds3

About 1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine

1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine (PubChem CID 148942699) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine
PubChem CID148942699
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine
SMILESCC(C)S(=O)(=O)CC1CN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO2S/c1-9(2)15(13,14)8-10-6-12(7-10)11(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyPOFKRJONRQAITJ-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tert-butyl-3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine
CID 159142905
3,3,5,5-Tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide
CID 21394474
3,3,5,5-Tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide
CID 21394475
1-Methyl-3-(methylsulfonylmethyl)azetidine
CID 58035128
1-Tert-butyl-3-tert-butylsulfinylazetidine
CID 59522769
3-Tert-butylsulfonyl-1-methylazetidine
CID 59522773
1-Tert-butyl-3-tert-butylsulfonylazetidine
CID 59522777
N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine
CID 59603413
N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
CID 59656303
(3S)-N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
CID 59691472
(3R)-N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
CID 59691485
1-(3-Methylbutyl)-3-methylsulfonylazetidine
CID 59761793

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine?
The IUPAC name of 1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine (CID 148942699) is 1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine?
The canonical SMILES for 1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine is CC(C)S(=O)(=O)CC1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine?
The InChIKey is POFKRJONRQAITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)15(13,14)8-10-6-12(7-10)11(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine?
1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine has a molecular weight of 233.38 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(propan-2-ylsulfonylmethyl)azetidine is sourced from PubChem (CID 148942699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).