4-propyl-1,4-thiazinane 1,1-dioxide

C7H15NO2S — CID 20767705

IUPAC4-propyl-1,4-thiazinane 1,1-dioxide
SMILESCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h2-7H2,1H3
InChIKeySZXQWBOAKLQLLG-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.13
Rot. Bonds2

About 4-propyl-1,4-thiazinane 1,1-dioxide

4-propyl-1,4-thiazinane 1,1-dioxide (PubChem CID 20767705) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-propyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-propyl-1,4-thiazinane 1,1-dioxide
PubChem CID20767705
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-propyl-1,4-thiazinane 1,1-dioxide
SMILESCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h2-7H2,1H3
InChIKeySZXQWBOAKLQLLG-UHFFFAOYSA-N
XLogP0.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-propyl-1,4-thiazinane 1,1-dioxide (CID 20767705) is 4-propyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-propyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-propyl-1,4-thiazinane 1,1-dioxide is CCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-propyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is SZXQWBOAKLQLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h2-7H2,1H3.
What are the key properties of 4-propyl-1,4-thiazinane 1,1-dioxide?
4-propyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 177.27 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 20767705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).