4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol

C9H17NO3S — CID 61224263

IUPAC4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
SMILESCC1CCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C9H17NO3S/c1-7-2-3-10(4-7)8-5-14(12,13)6-9(8)11/h7-9,11H,2-6H2,1H3
InChIKeyJAFFCOAICMDRBV-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.51
Rot. Bonds1

About 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol

4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol (PubChem CID 61224263) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
PubChem CID61224263
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
SMILESCC1CCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C9H17NO3S/c1-7-2-3-10(4-7)8-5-14(12,13)6-9(8)11/h7-9,11H,2-6H2,1H3
InChIKeyJAFFCOAICMDRBV-UHFFFAOYSA-N
XLogP-0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol (CID 61224263) is 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol is CC1CCN(C2CS(=O)(=O)CC2O)C1.
What is the InChIKey of 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol?
The InChIKey is JAFFCOAICMDRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-7-2-3-10(4-7)8-5-14(12,13)6-9(8)11/h7-9,11H,2-6H2,1H3.
What are the key properties of 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol?
4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol has a molecular weight of 219.31 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 61224263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).