[1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol

C10H19NO3S — CID 64867746

IUPAC[1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESO=S1(=O)CCC(CN2CCC(CO)C2)C1
InChIInChI=1S/C10H19NO3S/c12-7-9-1-3-11(5-9)6-10-2-4-15(13,14)8-10/h9-10,12H,1-8H2
InChIKeyQECJRWRLJQJPFX-UHFFFAOYSA-N
MW233.33 g/mol
LogP-0.26
Rot. Bonds3

About [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol

[1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 64867746) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID64867746
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESO=S1(=O)CCC(CN2CCC(CO)C2)C1
InChIInChI=1S/C10H19NO3S/c12-7-9-1-3-11(5-9)6-10-2-4-15(13,14)8-10/h9-10,12H,1-8H2
InChIKeyQECJRWRLJQJPFX-UHFFFAOYSA-N
XLogP-0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
CID 62133246
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62372380
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62370839
N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide
CID 100733555
3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64953559
3-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]thiolane 1,1-dioxide
CID 64949167
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 164656319
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104

Frequently Asked Questions

What is the IUPAC name of [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol (CID 64867746) is [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol is O=S1(=O)CCC(CN2CCC(CO)C2)C1.
What is the InChIKey of [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is QECJRWRLJQJPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-7-9-1-3-11(5-9)6-10-2-4-15(13,14)8-10/h9-10,12H,1-8H2.
What are the key properties of [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol?
[1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 233.33 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64867746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).