[2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine

C10H13ClN2O2S — CID 133180231

IUPAC[2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
SMILESNCC1CCN(c2cccc(Cl)c2)S1(=O)=O
InChIInChI=1S/C10H13ClN2O2S/c11-8-2-1-3-9(6-8)13-5-4-10(7-12)16(13,14)15/h1-3,6,10H,4-5,7,12H2
InChIKeyVWCXBIKXUNZLIK-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.21
Rot. Bonds2

About [2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine

[2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine (PubChem CID 133180231) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
PubChem CID133180231
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name[2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
SMILESNCC1CCN(c2cccc(Cl)c2)S1(=O)=O
InChIInChI=1S/C10H13ClN2O2S/c11-8-2-1-3-9(6-8)13-5-4-10(7-12)16(13,14)15/h1-3,6,10H,4-5,7,12H2
InChIKeyVWCXBIKXUNZLIK-UHFFFAOYSA-N
XLogP1.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683
[1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine
CID 82086673
4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one
CID 79219342
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824657
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071807
[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine
CID 66441286
[5-(3-chlorophenyl)-1,1-dioxothiepan-4-yl]methanamine
CID 84814132
3-chloroaniline;cyclopropylmethanamine
CID 69484094
3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 118991788
1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016836

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine (CID 133180231) is [2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine is NCC1CCN(c2cccc(Cl)c2)S1(=O)=O.
What is the InChIKey of [2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
The InChIKey is VWCXBIKXUNZLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-8-2-1-3-9(6-8)13-5-4-10(7-12)16(13,14)15/h1-3,6,10H,4-5,7,12H2.
What are the key properties of [2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine?
[2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine has a molecular weight of 260.75 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine is sourced from PubChem (CID 133180231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).