[3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol

C7H14N2O4S — CID 130646734

IUPAC[3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol
SMILESO=S1(=O)NCCN1CC1(CO)COC1
InChIInChI=1S/C7H14N2O4S/c10-4-7(5-13-6-7)3-9-2-1-8-14(9,11)12/h8,10H,1-6H2
InChIKeyMSRVFELFVNQNJG-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.85
Rot. Bonds3

About [3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol

[3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol (PubChem CID 130646734) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is [3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol
PubChem CID130646734
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name[3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol
SMILESO=S1(=O)NCCN1CC1(CO)COC1
InChIInChI=1S/C7H14N2O4S/c10-4-7(5-13-6-7)3-9-2-1-8-14(9,11)12/h8,10H,1-6H2
InChIKeyMSRVFELFVNQNJG-UHFFFAOYSA-N
XLogP-1.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-Dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84768180

Frequently Asked Questions

What is the IUPAC name of [3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol (CID 130646734) is [3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol is O=S1(=O)NCCN1CC1(CO)COC1.
What is the InChIKey of [3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is MSRVFELFVNQNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c10-4-7(5-13-6-7)3-9-2-1-8-14(9,11)12/h8,10H,1-6H2.
What are the key properties of [3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol?
[3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 222.27 g/mol, XLogP of -1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 130646734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).