(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine

C12H24N2OS — CID 106872149

IUPAC(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCOC1CCCC(CN)(N2CCSCC2)C1
InChIInChI=1S/C12H24N2OS/c1-15-11-3-2-4-12(9-11,10-13)14-5-7-16-8-6-14/h11H,2-10,13H2,1H3
InChIKeyXINPTVWHPOESJQ-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.32
Rot. Bonds3

About (3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine

(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine (PubChem CID 106872149) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is (3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
PubChem CID106872149
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCOC1CCCC(CN)(N2CCSCC2)C1
InChIInChI=1S/C12H24N2OS/c1-15-11-3-2-4-12(9-11,10-13)14-5-7-16-8-6-14/h11H,2-10,13H2,1H3
InChIKeyXINPTVWHPOESJQ-UHFFFAOYSA-N
XLogP1.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The IUPAC name of (3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine (CID 106872149) is (3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine is COC1CCCC(CN)(N2CCSCC2)C1.
What is the InChIKey of (3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The InChIKey is XINPTVWHPOESJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-15-11-3-2-4-12(9-11,10-13)14-5-7-16-8-6-14/h11H,2-10,13H2,1H3.
What are the key properties of (3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine?
(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine has a molecular weight of 244.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 106872149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).