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

C12H24N2S — CID 28787120

IUPAC(4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCC1CCC(CN)(N2CCSCC2)CC1
InChIInChI=1S/C12H24N2S/c1-11-2-4-12(10-13,5-3-11)14-6-8-15-9-7-14/h11H,2-10,13H2,1H3
InChIKeyIACQQOLMJZHQBY-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.94
Rot. Bonds2

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

(4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine (PubChem CID 28787120) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is (4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
PubChem CID28787120
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name(4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCC1CCC(CN)(N2CCSCC2)CC1
InChIInChI=1S/C12H24N2S/c1-11-2-4-12(10-13,5-3-11)14-6-8-15-9-7-14/h11H,2-10,13H2,1H3
InChIKeyIACQQOLMJZHQBY-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 (4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The IUPAC name of (4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine (CID 28787120) is (4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine is CC1CCC(CN)(N2CCSCC2)CC1.
What is the InChIKey of (4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The InChIKey is IACQQOLMJZHQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-11-2-4-12(10-13,5-3-11)14-6-8-15-9-7-14/h11H,2-10,13H2,1H3.
What are the key properties of (4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
(4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine has a molecular weight of 228.40 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-thiomorpholin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 28787120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).