(4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C11H20N2O3S — CID 22591385

IUPAC(4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNC1CCC(C(=O)N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H20N2O3S/c12-10-3-1-9(2-4-10)11(14)13-5-7-17(15,16)8-6-13/h9-10H,1-8,12H2
InChIKeyIYXYAPSYMWQOHM-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.24
Rot. Bonds1

About (4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 22591385) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID22591385
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNC1CCC(C(=O)N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H20N2O3S/c12-10-3-1-9(2-4-10)11(14)13-5-7-17(15,16)8-6-13/h9-10H,1-8,12H2
InChIKeyIYXYAPSYMWQOHM-UHFFFAOYSA-N
XLogP-0.24
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 22591385) is (4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is NC1CCC(C(=O)N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is IYXYAPSYMWQOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-10-3-1-9(2-4-10)11(14)13-5-7-17(15,16)8-6-13/h9-10H,1-8,12H2.
What are the key properties of (4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 260.36 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 22591385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).