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

C14H28N2S — CID 43530816

IUPAC(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCCCC1CCC(CN)C(N2CCSCC2)C1
InChIInChI=1S/C14H28N2S/c1-2-3-12-4-5-13(11-15)14(10-12)16-6-8-17-9-7-16/h12-14H,2-11,15H2,1H3
InChIKeyXNLPXCFVFIVTQE-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.58
Rot. Bonds4

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

(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine (PubChem CID 43530816) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is (4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
PubChem CID43530816
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCCCC1CCC(CN)C(N2CCSCC2)C1
InChIInChI=1S/C14H28N2S/c1-2-3-12-4-5-13(11-15)14(10-12)16-6-8-17-9-7-16/h12-14H,2-11,15H2,1H3
InChIKeyXNLPXCFVFIVTQE-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The IUPAC name of (4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine (CID 43530816) is (4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine is CCCC1CCC(CN)C(N2CCSCC2)C1.
What is the InChIKey of (4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
The InChIKey is XNLPXCFVFIVTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-2-3-12-4-5-13(11-15)14(10-12)16-6-8-17-9-7-16/h12-14H,2-11,15H2,1H3.
What are the key properties of (4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine?
(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine has a molecular weight of 256.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 43530816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).