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

C12H24N2O2S — CID 115309188

IUPAC[2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCCCC2C)S(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-10-7-14(17(15,16)8-10)12(9-13)6-4-3-5-11(12)2/h10-11H,3-9,13H2,1-2H3
InChIKeyPWBIEXQMRJLNTO-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.18
Rot. Bonds2

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

[2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine (PubChem CID 115309188) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is [2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine
PubChem CID115309188
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name[2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCCCC2C)S(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-10-7-14(17(15,16)8-10)12(9-13)6-4-3-5-11(12)2/h10-11H,3-9,13H2,1-2H3
InChIKeyPWBIEXQMRJLNTO-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine
CID 115309158
[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 43372747
[2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine
CID 115309153
1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464797
[1-(4-ethoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 61218986
[1-(4-cyclopropylpiperazin-1-yl)-2-methylcyclohexyl]methanamine
CID 61440866
[1-(2,2-dimethylmorpholin-4-yl)-2-methylcyclohexyl]methanamine
CID 43592649
[1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 107391361
1-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465442
1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol
CID 104549905
[1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine
CID 79188119
1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol
CID 83905899

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine?
The IUPAC name of [2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine (CID 115309188) is [2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine is CC1CN(C2(CN)CCCCC2C)S(=O)(=O)C1.
What is the InChIKey of [2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine?
The InChIKey is PWBIEXQMRJLNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10-7-14(17(15,16)8-10)12(9-13)6-4-3-5-11(12)2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of [2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine?
[2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine has a molecular weight of 260.40 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 115309188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).