(1-thiomorpholin-4-ylcyclohexyl)methanamine

C11H22N2S — CID 28787090

IUPAC(1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESNCC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C11H22N2S/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-10,12H2
InChIKeyXDIJCJULDXMESE-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.70
Rot. Bonds2

About (1-thiomorpholin-4-ylcyclohexyl)methanamine

(1-thiomorpholin-4-ylcyclohexyl)methanamine (PubChem CID 28787090) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is (1-thiomorpholin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-thiomorpholin-4-ylcyclohexyl)methanamine
PubChem CID28787090
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name(1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESNCC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C11H22N2S/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-10,12H2
InChIKeyXDIJCJULDXMESE-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-thiomorpholin-4-ylcyclohexyl)methanamine?
The IUPAC name of (1-thiomorpholin-4-ylcyclohexyl)methanamine (CID 28787090) is (1-thiomorpholin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (1-thiomorpholin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (1-thiomorpholin-4-ylcyclohexyl)methanamine is NCC1(N2CCSCC2)CCCCC1.
What is the InChIKey of (1-thiomorpholin-4-ylcyclohexyl)methanamine?
The InChIKey is XDIJCJULDXMESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-10,12H2.
What are the key properties of (1-thiomorpholin-4-ylcyclohexyl)methanamine?
(1-thiomorpholin-4-ylcyclohexyl)methanamine has a molecular weight of 214.38 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiomorpholin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 28787090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).