4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol

C10H19NO3S — CID 21179781

IUPAC4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
SMILESCC1CCCCN1C1CS(=O)(=O)CC1O
InChIInChI=1S/C10H19NO3S/c1-8-4-2-3-5-11(8)9-6-15(13,14)7-10(9)12/h8-10,12H,2-7H2,1H3
InChIKeyVBWHVYXJCOBQOL-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.02
Rot. Bonds1

About 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol

4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol (PubChem CID 21179781) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
PubChem CID21179781
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
SMILESCC1CCCCN1C1CS(=O)(=O)CC1O
InChIInChI=1S/C10H19NO3S/c1-8-4-2-3-5-11(8)9-6-15(13,14)7-10(9)12/h8-10,12H,2-7H2,1H3
InChIKeyVBWHVYXJCOBQOL-UHFFFAOYSA-N
XLogP0.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol (CID 21179781) is 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol is CC1CCCCN1C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
The InChIKey is VBWHVYXJCOBQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8-4-2-3-5-11(8)9-6-15(13,14)7-10(9)12/h8-10,12H,2-7H2,1H3.
What are the key properties of 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol has a molecular weight of 233.33 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 21179781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).