3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol

C9H19NO3S — CID 116816741

IUPAC3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CN1CCCCS1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-9(2,8-11)7-10-5-3-4-6-14(10,12)13/h11H,3-8H2,1-2H3
InChIKeyPMGAURJHRYVBAR-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.43
Rot. Bonds3

About 3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol

3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 116816741) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID116816741
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CN1CCCCS1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-9(2,8-11)7-10-5-3-4-6-14(10,12)13/h11H,3-8H2,1-2H3
InChIKeyPMGAURJHRYVBAR-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol (CID 116816741) is 3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol is CC(C)(CO)CN1CCCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is PMGAURJHRYVBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,8-11)7-10-5-3-4-6-14(10,12)13/h11H,3-8H2,1-2H3.
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol?
3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 221.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 116816741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).