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

C11H22N2O2S — CID 115309158

IUPAC[1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine
SMILESCC1CCCCC1(CN)N1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O2S/c1-10-5-2-3-6-11(10,9-12)13-7-4-8-16(13,14)15/h10H,2-9,12H2,1H3
InChIKeyXBTARVSANLNYMD-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.93
Rot. Bonds2

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

[1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine (PubChem CID 115309158) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine
PubChem CID115309158
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name[1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine
SMILESCC1CCCCC1(CN)N1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O2S/c1-10-5-2-3-6-11(10,9-12)13-7-4-8-16(13,14)15/h10H,2-9,12H2,1H3
InChIKeyXBTARVSANLNYMD-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine
CID 115309188
[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 43372747
[1-(4-cyclopropylpiperazin-1-yl)-2-methylcyclohexyl]methanamine
CID 61440866
[1-(4-ethoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 61218986
[2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine
CID 115309153
[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-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464797
[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 63154951
1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide
CID 61123775
2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64527605
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine?
The IUPAC name of [1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine (CID 115309158) is [1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine is CC1CCCCC1(CN)N1CCCS1(=O)=O.
What is the InChIKey of [1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine?
The InChIKey is XBTARVSANLNYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10-5-2-3-6-11(10,9-12)13-7-4-8-16(13,14)15/h10H,2-9,12H2,1H3.
What are the key properties of [1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine?
[1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine is sourced from PubChem (CID 115309158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).