N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine

C4H10N2O2S — CID 59165003

IUPACN-methyl-1,1-dioxo-1,2-thiazolidin-2-amine
SMILESCNN1CCCS1(=O)=O
InChIInChI=1S/C4H10N2O2S/c1-5-6-3-2-4-9(6,7)8/h5H,2-4H2,1H3
InChIKeyVMKQJQDMCGEKQQ-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.84
Rot. Bonds1

About N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine

N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine (PubChem CID 59165003) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-1,2-thiazolidin-2-amine
PubChem CID59165003
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC NameN-methyl-1,1-dioxo-1,2-thiazolidin-2-amine
SMILESCNN1CCCS1(=O)=O
InChIInChI=1S/C4H10N2O2S/c1-5-6-3-2-4-9(6,7)8/h5H,2-4H2,1H3
InChIKeyVMKQJQDMCGEKQQ-UHFFFAOYSA-N
XLogP-0.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine?
The IUPAC name of N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine (CID 59165003) is N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine.
What is the SMILES notation for N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine?
The canonical SMILES for N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine is CNN1CCCS1(=O)=O.
What is the InChIKey of N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine?
The InChIKey is VMKQJQDMCGEKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-5-6-3-2-4-9(6,7)8/h5H,2-4H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine?
N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine has a molecular weight of 150.20 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-1,2-thiazolidin-2-amine is sourced from PubChem (CID 59165003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).