4-propan-2-yl-1,4-thiazinane 1,1-dioxide

C7H15NO2S — CID 2806243

IUPAC4-propan-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO2S/c1-7(2)8-3-5-11(9,10)6-4-8/h7H,3-6H2,1-2H3
InChIKeySBGPTVPFOZMRNV-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.13
Rot. Bonds1

About 4-propan-2-yl-1,4-thiazinane 1,1-dioxide

4-propan-2-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 2806243) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-propan-2-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-propan-2-yl-1,4-thiazinane 1,1-dioxide
PubChem CID2806243
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-propan-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO2S/c1-7(2)8-3-5-11(9,10)6-4-8/h7H,3-6H2,1-2H3
InChIKeySBGPTVPFOZMRNV-UHFFFAOYSA-N
XLogP0.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-propan-2-yl-1,4-thiazinane 1,1-dioxide (CID 2806243) is 4-propan-2-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-propan-2-yl-1,4-thiazinane 1,1-dioxide is CC(C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is SBGPTVPFOZMRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)8-3-5-11(9,10)6-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
4-propan-2-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 177.27 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2806243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).