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

C10H20N2O2S — CID 43619988

IUPAC[2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine
SMILESNCC1CCCCC1N1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O2S/c11-8-9-4-1-2-5-10(9)12-6-3-7-15(12,13)14/h9-10H,1-8,11H2
InChIKeyDTTBONVAJIGXLA-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.54
Rot. Bonds2

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

[2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine (PubChem CID 43619988) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine
PubChem CID43619988
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine
SMILESNCC1CCCCC1N1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O2S/c11-8-9-4-1-2-5-10(9)12-6-3-7-15(12,13)14/h9-10H,1-8,11H2
InChIKeyDTTBONVAJIGXLA-UHFFFAOYSA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.54
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)cyclohexyl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine (CID 43619988) is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine is NCC1CCCCC1N1CCCS1(=O)=O.
What is the InChIKey of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine?
The InChIKey is DTTBONVAJIGXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c11-8-9-4-1-2-5-10(9)12-6-3-7-15(12,13)14/h9-10H,1-8,11H2.
What are the key properties of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine?
[2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine has a molecular weight of 232.35 g/mol, XLogP of 0.54, 2 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)cyclohexyl]methanamine is sourced from PubChem (CID 43619988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).