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

C14H28N2O2S — CID 43581188

IUPAC[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C14H28N2O2S/c1-2-3-12-4-5-13(11-15)14(10-12)16-6-8-19(17,18)9-7-16/h12-14H,2-11,15H2,1H3
InChIKeyRDZVBFLFOIEPFB-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.26
Rot. Bonds4

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

[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine (PubChem CID 43581188) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine
PubChem CID43581188
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C14H28N2O2S/c1-2-3-12-4-5-13(11-15)14(10-12)16-6-8-19(17,18)9-7-16/h12-14H,2-11,15H2,1H3
InChIKeyRDZVBFLFOIEPFB-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine (CID 43581188) is [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is RDZVBFLFOIEPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-3-12-4-5-13(11-15)14(10-12)16-6-8-19(17,18)9-7-16/h12-14H,2-11,15H2,1H3.
What are the key properties of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine?
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 288.46 g/mol, XLogP of 1.26, 4 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-propylcyclohexyl]methanamine is sourced from PubChem (CID 43581188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).