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

C12H24N2O2S — CID 43619991

IUPAC[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCCS2(=O)=O)C1
InChIInChI=1S/C12H24N2O2S/c1-2-10-4-5-11(9-13)12(8-10)14-6-3-7-17(14,15)16/h10-12H,2-9,13H2,1H3
InChIKeyLEBRSOQDXWSMGU-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.18
Rot. Bonds3

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

[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine (PubChem CID 43619991) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine
PubChem CID43619991
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCCS2(=O)=O)C1
InChIInChI=1S/C12H24N2O2S/c1-2-10-4-5-11(9-13)12(8-10)14-6-3-7-17(14,15)16/h10-12H,2-9,13H2,1H3
InChIKeyLEBRSOQDXWSMGU-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclohexyl-1-methylethyl)amino]-N,N-dimethylethanesulfonamide
CID 56701976
2-cyclohexyl-N-[3-[(2S)-1-methylpyrrolidin-2-yl]propyl]ethanesulfonamide
CID 20774704
N-(cyclohexylmethyl)-4-[(2S)-1-methylpyrrolidin-2-yl]butane-1-sulfonamide
CID 20774746
3-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]-6,6-dimethylheptan-2-amine
CID 132237234
N-[4-[[[(3S)-pyrrolidin-3-yl]methylamino]methyl]cyclohexyl]ethanesulfonamide
CID 166150619
3-Thiophenamine, tetrahydro-N-[5-methyl-2-(1-methylethyl)cyclohexyl]-, 1,1-dioxide
CID 43177570
2-[(5-Methyl-2-propan-2-ylcyclohexyl)amino]ethanesulfonamide
CID 43551955
2-[(2,6-Dimethylcyclohexyl)amino]ethanesulfonamide
CID 43551956
2-[(3-Methylcyclohexyl)amino]ethanesulfonamide
CID 43551957
2-[(2-Methylcyclohexyl)amino]ethanesulfonamide
CID 43551959
(3aR,7aS)-2-propylsulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43598596
(3aR,7aS)-2-butylsulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43598598

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine (CID 43619991) is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(N2CCCS2(=O)=O)C1.
What is the InChIKey of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine?
The InChIKey is LEBRSOQDXWSMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-10-4-5-11(9-13)12(8-10)14-6-3-7-17(14,15)16/h10-12H,2-9,13H2,1H3.
What are the key properties of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine?
[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexyl]methanamine has a molecular weight of 260.40 g/mol, XLogP of 1.18, 3 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-ethylcyclohexyl]methanamine is sourced from PubChem (CID 43619991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).