2-tert-butylthiazetidine 1,1-dioxide

C6H13NO2S — CID 13460700

IUPAC2-tert-butylthiazetidine 1,1-dioxide
SMILESCC(C)(C)N1CCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6(2,3)7-4-5-10(7,8)9/h4-5H2,1-3H3
InChIKeyXFVBDVOEENBQDW-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.43
Rot. Bonds

About 2-tert-butylthiazetidine 1,1-dioxide

2-tert-butylthiazetidine 1,1-dioxide (PubChem CID 13460700) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-tert-butylthiazetidine 1,1-dioxide.

Molecular Properties

Compound Name2-tert-butylthiazetidine 1,1-dioxide
PubChem CID13460700
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-tert-butylthiazetidine 1,1-dioxide
SMILESCC(C)(C)N1CCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6(2,3)7-4-5-10(7,8)9/h4-5H2,1-3H3
InChIKeyXFVBDVOEENBQDW-UHFFFAOYSA-N
XLogP0.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylthiazetidine 1,1-dioxide?
The IUPAC name of 2-tert-butylthiazetidine 1,1-dioxide (CID 13460700) is 2-tert-butylthiazetidine 1,1-dioxide.
What is the SMILES notation for 2-tert-butylthiazetidine 1,1-dioxide?
The canonical SMILES for 2-tert-butylthiazetidine 1,1-dioxide is CC(C)(C)N1CCS1(=O)=O.
What is the InChIKey of 2-tert-butylthiazetidine 1,1-dioxide?
The InChIKey is XFVBDVOEENBQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2,3)7-4-5-10(7,8)9/h4-5H2,1-3H3.
What are the key properties of 2-tert-butylthiazetidine 1,1-dioxide?
2-tert-butylthiazetidine 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylthiazetidine 1,1-dioxide is sourced from PubChem (CID 13460700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).