2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine

C8H18N2O2S — CID 117029844

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)N1CCCS1(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-8(2,7-9-3)10-5-4-6-13(10,11)12/h9H,4-7H2,1-3H3
InChIKeyJBRVUOMUNVLFMM-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine (PubChem CID 117029844) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine
PubChem CID117029844
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)N1CCCS1(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-8(2,7-9-3)10-5-4-6-13(10,11)12/h9H,4-7H2,1-3H3
InChIKeyJBRVUOMUNVLFMM-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
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)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine (CID 117029844) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is JBRVUOMUNVLFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2,7-9-3)10-5-4-6-13(10,11)12/h9H,4-7H2,1-3H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 206.31 g/mol, XLogP of 0.02, 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)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 117029844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).