4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide

C10H15NO3S — CID 3652335

IUPAC4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCS(=O)(=O)CC2)o1
InChIInChI=1S/C10H15NO3S/c1-9-2-3-10(14-9)8-11-4-6-15(12,13)7-5-11/h2-3H,4-8H2,1H3
InChIKeyQPGOZGJABIEIRT-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.82
Rot. Bonds2

About 4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 3652335) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID3652335
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCS(=O)(=O)CC2)o1
InChIInChI=1S/C10H15NO3S/c1-9-2-3-10(14-9)8-11-4-6-15(12,13)7-5-11/h2-3H,4-8H2,1H3
InChIKeyQPGOZGJABIEIRT-UHFFFAOYSA-N
XLogP0.82
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 3652335) is 4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide is Cc1ccc(CN2CCS(=O)(=O)CC2)o1.
What is the InChIKey of 4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is QPGOZGJABIEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-9-2-3-10(14-9)8-11-4-6-15(12,13)7-5-11/h2-3H,4-8H2,1H3.
What are the key properties of 4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 229.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 3652335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).