4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol

C9H19NO3S — CID 79361324

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO3S/c1-9(2,11)3-4-10-5-7-14(12,13)8-6-10/h11H,3-8H2,1-2H3
InChIKeyMQZBOQRHTZEWOK-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.12
Rot. Bonds3

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol

4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol (PubChem CID 79361324) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol
PubChem CID79361324
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO3S/c1-9(2,11)3-4-10-5-7-14(12,13)8-6-10/h11H,3-8H2,1-2H3
InChIKeyMQZBOQRHTZEWOK-UHFFFAOYSA-N
XLogP-0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
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 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol (CID 79361324) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol is CC(C)(O)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol?
The InChIKey is MQZBOQRHTZEWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,11)3-4-10-5-7-14(12,13)8-6-10/h11H,3-8H2,1-2H3.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol has a molecular weight of 221.32 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79361324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).