methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide

C10H17NOS — CID 144867572

IUPACmethane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide
SMILESC.CN1CC2=C(C=CCC2)CS1=O
InChIInChI=1S/C9H13NOS.CH4/c1-10-6-8-4-2-3-5-9(8)7-12(10)11;/h3,5H,2,4,6-7H2,1H3;1H4
InChIKeyQRFAPECXENRFBM-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.88
Rot. Bonds

About methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide

methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide (PubChem CID 144867572) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide.

Molecular Properties

Compound Namemethane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide
PubChem CID144867572
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Namemethane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide
SMILESC.CN1CC2=C(C=CCC2)CS1=O
InChIInChI=1S/C9H13NOS.CH4/c1-10-6-8-4-2-3-5-9(8)7-12(10)11;/h3,5H,2,4,6-7H2,1H3;1H4
InChIKeyQRFAPECXENRFBM-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide?
The IUPAC name of methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide (CID 144867572) is methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide.
What is the SMILES notation for methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide?
The canonical SMILES for methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide is C.CN1CC2=C(C=CCC2)CS1=O.
What is the InChIKey of methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide?
The InChIKey is QRFAPECXENRFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.CH4/c1-10-6-8-4-2-3-5-9(8)7-12(10)11;/h3,5H,2,4,6-7H2,1H3;1H4.
What are the key properties of methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide?
methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide has a molecular weight of 199.32 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-1,4,5,6-tetrahydro-2λ4,3-benzothiazine 2-oxide is sourced from PubChem (CID 144867572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).