1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine

C16H24N2O2S2 — CID 84589128

IUPAC1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCS1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C16H24N2O2S2/c1-13(17-12-16-7-3-9-21-16)14-5-2-6-15(11-14)18-8-4-10-22(18,19)20/h2,5-6,11,13,16-17H,3-4,7-10,12H2,1H3
InChIKeyHEBOVJSZCSHYDP-UHFFFAOYSA-N
MW340.51 g/mol
LogP2.77
Rot. Bonds5

About 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine

1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine (PubChem CID 84589128) has the molecular formula C16H24N2O2S2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine
PubChem CID84589128
Molecular FormulaC16H24N2O2S2
Molecular Weight340.51 g/mol
Exact Mass340.13
IUPAC Name1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCS1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C16H24N2O2S2/c1-13(17-12-16-7-3-9-21-16)14-5-2-6-15(11-14)18-8-4-10-22(18,19)20/h2,5-6,11,13,16-17H,3-4,7-10,12H2,1H3
InChIKeyHEBOVJSZCSHYDP-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine with MolForge

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
CID 126827114
N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine
CID 116814547
N-(thiolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 80584198
1-(3,5-dimethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 81343587
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171891200
N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide
CID 146128516
4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide
CID 171900157
1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584060
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide
CID 110312880
1-(3-bromo-4-methoxyphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585229
1-(3-fluoro-4-methylphenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80600563
1-(4-nitrophenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80596058

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine (CID 84589128) is 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine is CC(NCC1CCCS1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine?
The InChIKey is HEBOVJSZCSHYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S2/c1-13(17-12-16-7-3-9-21-16)14-5-2-6-15(11-14)18-8-4-10-22(18,19)20/h2,5-6,11,13,16-17H,3-4,7-10,12H2,1H3.
What are the key properties of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine?
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine has a molecular weight of 340.51 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 84589128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).