(4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine

C12H24N2S — CID 43530818

IUPAC(4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCC1CCC(CN)C(N2CCSCC2)C1
InChIInChI=1S/C12H24N2S/c1-10-2-3-11(9-13)12(8-10)14-4-6-15-7-5-14/h10-12H,2-9,13H2,1H3
InChIKeyKIMYKKHNXKYTMC-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.80
Rot. Bonds2

About (4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine

(4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine (PubChem CID 43530818) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is (4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
PubChem CID43530818
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name(4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCC1CCC(CN)C(N2CCSCC2)C1
InChIInChI=1S/C12H24N2S/c1-10-2-3-11(9-13)12(8-10)14-4-6-15-7-5-14/h10-12H,2-9,13H2,1H3
InChIKeyKIMYKKHNXKYTMC-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The IUPAC name of (4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine (CID 43530818) is (4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine is CC1CCC(CN)C(N2CCSCC2)C1.
What is the InChIKey of (4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The InChIKey is KIMYKKHNXKYTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-2-3-11(9-13)12(8-10)14-4-6-15-7-5-14/h10-12H,2-9,13H2,1H3.
What are the key properties of (4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
(4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine has a molecular weight of 228.40 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-thiomorpholin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 43530818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).