(4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine

C13H26N2S — CID 28787082

IUPAC(4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCCC1CCC(CN)(N2CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-2-12-3-5-13(11-14,6-4-12)15-7-9-16-10-8-15/h12H,2-11,14H2,1H3
InChIKeyRCOMQYBUAYXOSZ-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.33
Rot. Bonds3

About (4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine

(4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine (PubChem CID 28787082) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is (4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
PubChem CID28787082
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name(4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCCC1CCC(CN)(N2CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-2-12-3-5-13(11-14,6-4-12)15-7-9-16-10-8-15/h12H,2-11,14H2,1H3
InChIKeyRCOMQYBUAYXOSZ-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The IUPAC name of (4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine (CID 28787082) is (4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine is CCC1CCC(CN)(N2CCSCC2)CC1.
What is the InChIKey of (4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The InChIKey is RCOMQYBUAYXOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-12-3-5-13(11-14,6-4-12)15-7-9-16-10-8-15/h12H,2-11,14H2,1H3.
What are the key properties of (4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
(4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine has a molecular weight of 242.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 28787082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).