2-cyclohexyl-2-thiomorpholin-4-ylethanamine

C12H24N2S — CID 43210656

IUPAC2-cyclohexyl-2-thiomorpholin-4-ylethanamine
SMILESNCC(C1CCCCC1)N1CCSCC1
InChIInChI=1S/C12H24N2S/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h11-12H,1-10,13H2
InChIKeySDHGMHLWGYXUOS-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.94
Rot. Bonds3

About 2-cyclohexyl-2-thiomorpholin-4-ylethanamine

2-cyclohexyl-2-thiomorpholin-4-ylethanamine (PubChem CID 43210656) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-thiomorpholin-4-ylethanamine
PubChem CID43210656
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-cyclohexyl-2-thiomorpholin-4-ylethanamine
SMILESNCC(C1CCCCC1)N1CCSCC1
InChIInChI=1S/C12H24N2S/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h11-12H,1-10,13H2
InChIKeySDHGMHLWGYXUOS-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-thiomorpholin-4-ylethanamine?
The IUPAC name of 2-cyclohexyl-2-thiomorpholin-4-ylethanamine (CID 43210656) is 2-cyclohexyl-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for 2-cyclohexyl-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for 2-cyclohexyl-2-thiomorpholin-4-ylethanamine is NCC(C1CCCCC1)N1CCSCC1.
What is the InChIKey of 2-cyclohexyl-2-thiomorpholin-4-ylethanamine?
The InChIKey is SDHGMHLWGYXUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h11-12H,1-10,13H2.
What are the key properties of 2-cyclohexyl-2-thiomorpholin-4-ylethanamine?
2-cyclohexyl-2-thiomorpholin-4-ylethanamine has a molecular weight of 228.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 43210656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).