(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide

C8H15NO2S — CID 129321928

IUPAC(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide
SMILESO=S1(=O)C[C@H]2CCCC[C@@H]2CN1
InChIInChI=1S/C8H15NO2S/c10-12(11)6-8-4-2-1-3-7(8)5-9-12/h7-9H,1-6H2/t7-,8-/m1/s1
InChIKeyKASCEXGVDUUFJA-HTQZYQBOSA-N
MW189.28 g/mol
LogP0.73
Rot. Bonds

About (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide

(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide (PubChem CID 129321928) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide.

Molecular Properties

Compound Name(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide
PubChem CID129321928
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide
SMILESO=S1(=O)C[C@H]2CCCC[C@@H]2CN1
InChIInChI=1S/C8H15NO2S/c10-12(11)6-8-4-2-1-3-7(8)5-9-12/h7-9H,1-6H2/t7-,8-/m1/s1
InChIKeyKASCEXGVDUUFJA-HTQZYQBOSA-N
XLogP0.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide with MolForge

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Related Compounds

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cyclopentylcyclopentane;phosphane
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3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide?
The IUPAC name of (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide (CID 129321928) is (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide.
What is the SMILES notation for (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide?
The canonical SMILES for (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide is O=S1(=O)C[C@H]2CCCC[C@@H]2CN1.
What is the InChIKey of (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide?
The InChIKey is KASCEXGVDUUFJA-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO2S/c10-12(11)6-8-4-2-1-3-7(8)5-9-12/h7-9H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide?
(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]thiazine 2,2-dioxide is sourced from PubChem (CID 129321928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).