4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine

C13H26N2O2S — CID 79580707

IUPAC4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CC(C)CS2(=O)=O)CC1
InChIInChI=1S/C13H26N2O2S/c1-3-8-14-12-4-6-13(7-5-12)15-9-11(2)10-18(15,16)17/h11-14H,3-10H2,1-2H3
InChIKeyADWOPRTWXKYERQ-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds4

About 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine

4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine (PubChem CID 79580707) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
PubChem CID79580707
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CC(C)CS2(=O)=O)CC1
InChIInChI=1S/C13H26N2O2S/c1-3-8-14-12-4-6-13(7-5-12)15-9-11(2)10-18(15,16)17/h11-14H,3-10H2,1-2H3
InChIKeyADWOPRTWXKYERQ-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine (CID 79580707) is 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(N2CC(C)CS2(=O)=O)CC1.
What is the InChIKey of 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine?
The InChIKey is ADWOPRTWXKYERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-8-14-12-4-6-13(7-5-12)15-9-11(2)10-18(15,16)17/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine?
4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79580707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).