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

C13H26N2O2S — CID 43619992

IUPAC[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CCCS2(=O)=O)C1
InChIInChI=1S/C13H26N2O2S/c1-2-4-11-5-6-12(10-14)13(9-11)15-7-3-8-18(15,16)17/h11-13H,2-10,14H2,1H3
InChIKeyRRFLVNIIPPBGQV-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.57
Rot. Bonds4

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

[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine (PubChem CID 43619992) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine
PubChem CID43619992
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CCCS2(=O)=O)C1
InChIInChI=1S/C13H26N2O2S/c1-2-4-11-5-6-12(10-14)13(9-11)15-7-3-8-18(15,16)17/h11-13H,2-10,14H2,1H3
InChIKeyRRFLVNIIPPBGQV-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 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 ≤ 51.57
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-propylcyclohexyl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine (CID 43619992) is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(N2CCCS2(=O)=O)C1.
What is the InChIKey of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is RRFLVNIIPPBGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-4-11-5-6-12(10-14)13(9-11)15-7-3-8-18(15,16)17/h11-13H,2-10,14H2,1H3.
What are the key properties of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine?
[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 1.57, 4 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-propylcyclohexyl]methanamine is sourced from PubChem (CID 43619992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).