1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol

C10H19NO3S — CID 123286451

IUPAC1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H19NO3S/c1-9-6-10(12,7-9)8-11-2-4-15(13,14)5-3-11/h9,12H,2-8H2,1H3
InChIKeyAPEJCNGOINVNAH-UHFFFAOYSA-N
MW233.33 g/mol
LogP-0.12
Rot. Bonds2

About 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol

1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol (PubChem CID 123286451) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol
PubChem CID123286451
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H19NO3S/c1-9-6-10(12,7-9)8-11-2-4-15(13,14)5-3-11/h9,12H,2-8H2,1H3
InChIKeyAPEJCNGOINVNAH-UHFFFAOYSA-N
XLogP-0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol?
The IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol (CID 123286451) is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol is CC1CC(O)(CN2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol?
The InChIKey is APEJCNGOINVNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-9-6-10(12,7-9)8-11-2-4-15(13,14)5-3-11/h9,12H,2-8H2,1H3.
What are the key properties of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol?
1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol has a molecular weight of 233.33 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol is sourced from PubChem (CID 123286451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).