5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C15H21NO3S — CID 102888008

IUPAC5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC1CS(=O)(=O)CCN1C1CCCc2c(O)cccc21
InChIInChI=1S/C15H21NO3S/c1-11-10-20(18,19)9-8-16(11)14-6-2-5-13-12(14)4-3-7-15(13)17/h3-4,7,11,14,17H,2,5-6,8-10H2,1H3
InChIKeyBCBOWAFKTCMVQT-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.89
Rot. Bonds1

About 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 102888008) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID102888008
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC1CS(=O)(=O)CCN1C1CCCc2c(O)cccc21
InChIInChI=1S/C15H21NO3S/c1-11-10-20(18,19)9-8-16(11)14-6-2-5-13-12(14)4-3-7-15(13)17/h3-4,7,11,14,17H,2,5-6,8-10H2,1H3
InChIKeyBCBOWAFKTCMVQT-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 102888008) is 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is CC1CS(=O)(=O)CCN1C1CCCc2c(O)cccc21.
What is the InChIKey of 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is BCBOWAFKTCMVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-10-20(18,19)9-8-16(11)14-6-2-5-13-12(14)4-3-7-15(13)17/h3-4,7,11,14,17H,2,5-6,8-10H2,1H3.
What are the key properties of 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 295.40 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 102888008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).