4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide

C11H19NO4S2 — CID 127442065

IUPAC4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
SMILESO=S1(=O)CCN(S(=O)(=O)C2CC2)C2CCCCC21
InChIInChI=1S/C11H19NO4S2/c13-17(14)8-7-12(18(15,16)9-5-6-9)10-3-1-2-4-11(10)17/h9-11H,1-8H2
InChIKeyMEVMIKNMSDOQAX-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.52
Rot. Bonds2

About 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide

4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide (PubChem CID 127442065) has the molecular formula C11H19NO4S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
PubChem CID127442065
Molecular FormulaC11H19NO4S2
Molecular Weight293.41 g/mol
Exact Mass293.08
IUPAC Name4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
SMILESO=S1(=O)CCN(S(=O)(=O)C2CC2)C2CCCCC21
InChIInChI=1S/C11H19NO4S2/c13-17(14)8-7-12(18(15,16)9-5-6-9)10-3-1-2-4-11(10)17/h9-11H,1-8H2
InChIKeyMEVMIKNMSDOQAX-UHFFFAOYSA-N
XLogP0.52
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide with MolForge

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Related Compounds

4-(5-Fluoropentyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
CID 122133978
(4aR,8aR)-4-(5-fluoropentyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
CID 124293140
(4aR,8aS)-4-(5-fluoropentyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
CID 124293141
(4aS,8aR)-4-(5-fluoropentyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
CID 124293142
(4aS,8aS)-4-(5-fluoropentyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
CID 124293143
4-Methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine
CID 127432155
10-Methylsulfonyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazine
CID 145832851
2,2-dimethyl-4-methylsulfonyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]thiazine
CID 145832939
2-Methyl-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine
CID 145833052

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide?
The IUPAC name of 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide (CID 127442065) is 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide.
What is the SMILES notation for 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide?
The canonical SMILES for 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide is O=S1(=O)CCN(S(=O)(=O)C2CC2)C2CCCCC21.
What is the InChIKey of 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide?
The InChIKey is MEVMIKNMSDOQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S2/c13-17(14)8-7-12(18(15,16)9-5-6-9)10-3-1-2-4-11(10)17/h9-11H,1-8H2.
What are the key properties of 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide?
4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide has a molecular weight of 293.41 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide is sourced from PubChem (CID 127442065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).