2-methylthiazetidine 1,1-dioxide

C3H7NO2S — CID 12959054

IUPAC2-methylthiazetidine 1,1-dioxide
SMILESCN1CCS1(=O)=O
InChIInChI=1S/C3H7NO2S/c1-4-2-3-7(4,5)6/h2-3H2,1H3
InChIKeyVXQHCXXAJAYEJS-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.74
Rot. Bonds

About 2-methylthiazetidine 1,1-dioxide

2-methylthiazetidine 1,1-dioxide (PubChem CID 12959054) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is 2-methylthiazetidine 1,1-dioxide.

Molecular Properties

Compound Name2-methylthiazetidine 1,1-dioxide
PubChem CID12959054
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name2-methylthiazetidine 1,1-dioxide
SMILESCN1CCS1(=O)=O
InChIInChI=1S/C3H7NO2S/c1-4-2-3-7(4,5)6/h2-3H2,1H3
InChIKeyVXQHCXXAJAYEJS-UHFFFAOYSA-N
XLogP-0.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylthiazetidine 1,1-dioxide?
The IUPAC name of 2-methylthiazetidine 1,1-dioxide (CID 12959054) is 2-methylthiazetidine 1,1-dioxide.
What is the SMILES notation for 2-methylthiazetidine 1,1-dioxide?
The canonical SMILES for 2-methylthiazetidine 1,1-dioxide is CN1CCS1(=O)=O.
What is the InChIKey of 2-methylthiazetidine 1,1-dioxide?
The InChIKey is VXQHCXXAJAYEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-4-2-3-7(4,5)6/h2-3H2,1H3.
What are the key properties of 2-methylthiazetidine 1,1-dioxide?
2-methylthiazetidine 1,1-dioxide has a molecular weight of 121.16 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiazetidine 1,1-dioxide is sourced from PubChem (CID 12959054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).