4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol

C14H27NOS — CID 62609363

IUPAC4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCSCC2)C1
InChIInChI=1S/C14H27NOS/c1-2-3-12-4-5-14(16)13(10-12)11-15-6-8-17-9-7-15/h12-14,16H,2-11H2,1H3
InChIKeyJOEVJQLIRLAJMO-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.61
Rot. Bonds4

About 4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol

4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol (PubChem CID 62609363) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
PubChem CID62609363
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCSCC2)C1
InChIInChI=1S/C14H27NOS/c1-2-3-12-4-5-14(16)13(10-12)11-15-6-8-17-9-7-15/h12-14,16H,2-11H2,1H3
InChIKeyJOEVJQLIRLAJMO-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.61
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-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol (CID 62609363) is 4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol is CCCC1CCC(O)C(CN2CCSCC2)C1.
What is the InChIKey of 4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is JOEVJQLIRLAJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-2-3-12-4-5-14(16)13(10-12)11-15-6-8-17-9-7-15/h12-14,16H,2-11H2,1H3.
What are the key properties of 4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol?
4-propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 257.44 g/mol, XLogP of 2.61, 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-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 62609363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).