2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine

C12H24N2S — CID 10561358

IUPAC2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine
SMILESNCCC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C12H24N2S/c13-7-6-12(4-2-1-3-5-12)14-8-10-15-11-9-14/h1-11,13H2
InChIKeySXZGMNOCJLJOJY-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.09
Rot. Bonds3

About 2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine

2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine (PubChem CID 10561358) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine
PubChem CID10561358
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine
SMILESNCCC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C12H24N2S/c13-7-6-12(4-2-1-3-5-12)14-8-10-15-11-9-14/h1-11,13H2
InChIKeySXZGMNOCJLJOJY-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine (CID 10561358) is 2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine is NCCC1(N2CCSCC2)CCCCC1.
What is the InChIKey of 2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine?
The InChIKey is SXZGMNOCJLJOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c13-7-6-12(4-2-1-3-5-12)14-8-10-15-11-9-14/h1-11,13H2.
What are the key properties of 2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine?
2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine has a molecular weight of 228.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiomorpholin-4-ylcyclohexyl)ethanamine is sourced from PubChem (CID 10561358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).