2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine

C12H24N2O2S — CID 43581311

IUPAC2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
SMILESNCC(C1CCCCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c13-10-12(11-4-2-1-3-5-11)14-6-8-17(15,16)9-7-14/h11-12H,1-10,13H2
InChIKeyJHRLLZGZVUTWDC-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.62
Rot. Bonds3

About 2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine

2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (PubChem CID 43581311) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
PubChem CID43581311
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
SMILESNCC(C1CCCCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c13-10-12(11-4-2-1-3-5-11)14-6-8-17(15,16)9-7-14/h11-12H,1-10,13H2
InChIKeyJHRLLZGZVUTWDC-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (CID 43581311) is 2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine is NCC(C1CCCCC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The InChIKey is JHRLLZGZVUTWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c13-10-12(11-4-2-1-3-5-11)14-6-8-17(15,16)9-7-14/h11-12H,1-10,13H2.
What are the key properties of 2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine has a molecular weight of 260.40 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine is sourced from PubChem (CID 43581311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).