[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine

C11H16N2O2S — CID 43619971

IUPAC[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
SMILESNCc1ccccc1CN1CCCS1(=O)=O
InChIInChI=1S/C11H16N2O2S/c12-8-10-4-1-2-5-11(10)9-13-6-3-7-16(13,14)15/h1-2,4-5H,3,6-9,12H2
InChIKeyYDPNYYLYZVUSTN-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.68
Rot. Bonds3

About [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine

[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine (PubChem CID 43619971) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
PubChem CID43619971
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
SMILESNCc1ccccc1CN1CCCS1(=O)=O
InChIInChI=1S/C11H16N2O2S/c12-8-10-4-1-2-5-11(10)9-13-6-3-7-16(13,14)15/h1-2,4-5H,3,6-9,12H2
InChIKeyYDPNYYLYZVUSTN-UHFFFAOYSA-N
XLogP0.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine (CID 43619971) is [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine is NCc1ccccc1CN1CCCS1(=O)=O.
What is the InChIKey of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine?
The InChIKey is YDPNYYLYZVUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-8-10-4-1-2-5-11(10)9-13-6-3-7-16(13,14)15/h1-2,4-5H,3,6-9,12H2.
What are the key properties of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine?
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine has a molecular weight of 240.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 43619971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).