1-tert-butylsulfonyl-3-fluoro-3-methylazetidine

C8H16FNO2S — CID 157343361

IUPAC1-tert-butylsulfonyl-3-fluoro-3-methylazetidine
SMILESCC1(F)CN(S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2,3)13(11,12)10-5-8(4,9)6-10/h5-6H2,1-4H3
InChIKeyBXQRXCCGUNSUFI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.16
Rot. Bonds1

About 1-tert-butylsulfonyl-3-fluoro-3-methylazetidine

1-tert-butylsulfonyl-3-fluoro-3-methylazetidine (PubChem CID 157343361) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-3-fluoro-3-methylazetidine.

Molecular Properties

Compound Name1-tert-butylsulfonyl-3-fluoro-3-methylazetidine
PubChem CID157343361
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name1-tert-butylsulfonyl-3-fluoro-3-methylazetidine
SMILESCC1(F)CN(S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C8H16FNO2S/c1-7(2,3)13(11,12)10-5-8(4,9)6-10/h5-6H2,1-4H3
InChIKeyBXQRXCCGUNSUFI-UHFFFAOYSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dimethylbutan-2-ylsulfonyl)-3,3-difluoroazetidine
CID 70828008
3-Fluoro-3-methyl-1-methylsulfonylazetidine
CID 131151812
1-Tert-butylsulfonyl-3,3-difluoroazetidine
CID 139475227
3,3-Difluoro-1-(2-methylpentan-2-ylsulfonyl)azetidine
CID 139475228
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
3-Fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine
CID 130669910
1-Ethylsulfonyl-3-fluoro-3-methylazetidine
CID 130991379
1-Cyclopropylsulfonyl-3-fluoro-3-methylazetidine
CID 131131845
3-Fluoro-3-methyl-1-propylsulfonylazetidine
CID 131177035
N,2-dimethyl-N-propylpropane-2-sulfonamide
CID 57698835

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-3-fluoro-3-methylazetidine?
The IUPAC name of 1-tert-butylsulfonyl-3-fluoro-3-methylazetidine (CID 157343361) is 1-tert-butylsulfonyl-3-fluoro-3-methylazetidine.
What is the SMILES notation for 1-tert-butylsulfonyl-3-fluoro-3-methylazetidine?
The canonical SMILES for 1-tert-butylsulfonyl-3-fluoro-3-methylazetidine is CC1(F)CN(S(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of 1-tert-butylsulfonyl-3-fluoro-3-methylazetidine?
The InChIKey is BXQRXCCGUNSUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2,3)13(11,12)10-5-8(4,9)6-10/h5-6H2,1-4H3.
What are the key properties of 1-tert-butylsulfonyl-3-fluoro-3-methylazetidine?
1-tert-butylsulfonyl-3-fluoro-3-methylazetidine has a molecular weight of 209.29 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-3-fluoro-3-methylazetidine is sourced from PubChem (CID 157343361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).