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

C13H26N2O2S — CID 43581187

IUPAC[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C13H26N2O2S/c1-2-11-3-4-12(10-14)13(9-11)15-5-7-18(16,17)8-6-15/h11-13H,2-10,14H2,1H3
InChIKeyVCVOTPBHJMKVTF-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.87
Rot. Bonds3

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

[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine (PubChem CID 43581187) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine
PubChem CID43581187
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C13H26N2O2S/c1-2-11-3-4-12(10-14)13(9-11)15-5-7-18(16,17)8-6-15/h11-13H,2-10,14H2,1H3
InChIKeyVCVOTPBHJMKVTF-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1,1-dioxo-1,4-thiazinan-4-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

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine (CID 43581187) is [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine?
The InChIKey is VCVOTPBHJMKVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-11-3-4-12(10-14)13(9-11)15-5-7-18(16,17)8-6-15/h11-13H,2-10,14H2,1H3.
What are the key properties of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine?
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 43581187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).