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

C11H22N2O2S — CID 43581368

IUPAC[1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine
SMILESNCC1(N2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C11H22N2O2S/c12-10-11(4-2-1-3-5-11)13-6-8-16(14,15)9-7-13/h1-10,12H2
InChIKeyGLOHIZALQJNMPE-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.38
Rot. Bonds2

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

[1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine (PubChem CID 43581368) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine
PubChem CID43581368
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name[1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine
SMILESNCC1(N2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C11H22N2O2S/c12-10-11(4-2-1-3-5-11)13-6-8-16(14,15)9-7-13/h1-10,12H2
InChIKeyGLOHIZALQJNMPE-UHFFFAOYSA-N
XLogP0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine (CID 43581368) is [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine is NCC1(N2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine?
The InChIKey is GLOHIZALQJNMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c12-10-11(4-2-1-3-5-11)13-6-8-16(14,15)9-7-13/h1-10,12H2.
What are the key properties of [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine?
[1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43581368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).