2-propylthiazinane 1,1-dioxide

C7H15NO2S — CID 126654220

IUPAC2-propylthiazinane 1,1-dioxide
SMILESCCCN1CCCCS1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-2-5-8-6-3-4-7-11(8,9)10/h2-7H2,1H3
InChIKeyXFMXZCQZRUATCD-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.82
Rot. Bonds2

About 2-propylthiazinane 1,1-dioxide

2-propylthiazinane 1,1-dioxide (PubChem CID 126654220) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-propylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-propylthiazinane 1,1-dioxide
PubChem CID126654220
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-propylthiazinane 1,1-dioxide
SMILESCCCN1CCCCS1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-2-5-8-6-3-4-7-11(8,9)10/h2-7H2,1H3
InChIKeyXFMXZCQZRUATCD-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylthiazinane 1,1-dioxide?
The IUPAC name of 2-propylthiazinane 1,1-dioxide (CID 126654220) is 2-propylthiazinane 1,1-dioxide.
What is the SMILES notation for 2-propylthiazinane 1,1-dioxide?
The canonical SMILES for 2-propylthiazinane 1,1-dioxide is CCCN1CCCCS1(=O)=O.
What is the InChIKey of 2-propylthiazinane 1,1-dioxide?
The InChIKey is XFMXZCQZRUATCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-5-8-6-3-4-7-11(8,9)10/h2-7H2,1H3.
What are the key properties of 2-propylthiazinane 1,1-dioxide?
2-propylthiazinane 1,1-dioxide has a molecular weight of 177.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylthiazinane 1,1-dioxide is sourced from PubChem (CID 126654220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).