[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine

C11H22N2O2S — CID 43619990

IUPAC[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(N2CCCS2(=O)=O)C1
InChIInChI=1S/C11H22N2O2S/c1-9-3-4-10(8-12)11(7-9)13-5-2-6-16(13,14)15/h9-11H,2-8,12H2,1H3
InChIKeyDIMTXNYVXWWDAR-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.79
Rot. Bonds2

About [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine

[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine (PubChem CID 43619990) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine
PubChem CID43619990
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(N2CCCS2(=O)=O)C1
InChIInChI=1S/C11H22N2O2S/c1-9-3-4-10(8-12)11(7-9)13-5-2-6-16(13,14)15/h9-11H,2-8,12H2,1H3
InChIKeyDIMTXNYVXWWDAR-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.79
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)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine (CID 43619990) is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(N2CCCS2(=O)=O)C1.
What is the InChIKey of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is DIMTXNYVXWWDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9-3-4-10(8-12)11(7-9)13-5-2-6-16(13,14)15/h9-11H,2-8,12H2,1H3.
What are the key properties of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine?
[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 0.79, 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)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43619990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).