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

C13H26N2S — CID 43530817

IUPAC(4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCCC1CCC(CN)C(N2CCSCC2)C1
InChIInChI=1S/C13H26N2S/c1-2-11-3-4-12(10-14)13(9-11)15-5-7-16-8-6-15/h11-13H,2-10,14H2,1H3
InChIKeyPAZBWAFYLYMERR-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.19
Rot. Bonds3

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

(4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine (PubChem CID 43530817) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is (4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
PubChem CID43530817
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name(4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCCC1CCC(CN)C(N2CCSCC2)C1
InChIInChI=1S/C13H26N2S/c1-2-11-3-4-12(10-14)13(9-11)15-5-7-16-8-6-15/h11-13H,2-10,14H2,1H3
InChIKeyPAZBWAFYLYMERR-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The IUPAC name of (4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine (CID 43530817) is (4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine is CCC1CCC(CN)C(N2CCSCC2)C1.
What is the InChIKey of (4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The InChIKey is PAZBWAFYLYMERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-11-3-4-12(10-14)13(9-11)15-5-7-16-8-6-15/h11-13H,2-10,14H2,1H3.
What are the key properties of (4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
(4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine has a molecular weight of 242.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-thiomorpholin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 43530817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).