1-imino-4-methyl-1-oxothiolan-3-ol

C5H11NO2S — CID 138672311

IUPAC1-imino-4-methyl-1-oxothiolan-3-ol
SMILES[H]N=S1(=O)CC(C)C(O)C1
InChIInChI=1S/C5H11NO2S/c1-4-2-9(6,8)3-5(4)7/h4-7H,2-3H2,1H3
InChIKeyYNJPMKGGPDKOHY-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.04
Rot. Bonds

About 1-imino-4-methyl-1-oxothiolan-3-ol

1-imino-4-methyl-1-oxothiolan-3-ol (PubChem CID 138672311) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-imino-4-methyl-1-oxothiolan-3-ol.

Molecular Properties

Compound Name1-imino-4-methyl-1-oxothiolan-3-ol
PubChem CID138672311
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name1-imino-4-methyl-1-oxothiolan-3-ol
SMILES[H]N=S1(=O)CC(C)C(O)C1
InChIInChI=1S/C5H11NO2S/c1-4-2-9(6,8)3-5(4)7/h4-7H,2-3H2,1H3
InChIKeyYNJPMKGGPDKOHY-UHFFFAOYSA-N
XLogP0.04
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imino-4-methyl-1-oxothiolan-3-ol?
The IUPAC name of 1-imino-4-methyl-1-oxothiolan-3-ol (CID 138672311) is 1-imino-4-methyl-1-oxothiolan-3-ol.
What is the SMILES notation for 1-imino-4-methyl-1-oxothiolan-3-ol?
The canonical SMILES for 1-imino-4-methyl-1-oxothiolan-3-ol is [H]N=S1(=O)CC(C)C(O)C1.
What is the InChIKey of 1-imino-4-methyl-1-oxothiolan-3-ol?
The InChIKey is YNJPMKGGPDKOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4-2-9(6,8)3-5(4)7/h4-7H,2-3H2,1H3.
What are the key properties of 1-imino-4-methyl-1-oxothiolan-3-ol?
1-imino-4-methyl-1-oxothiolan-3-ol has a molecular weight of 149.22 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-4-methyl-1-oxothiolan-3-ol is sourced from PubChem (CID 138672311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).