4-[4-(4-methylcyclohexyl)butyl]thiomorpholine

C15H29NS — CID 91567293

IUPAC4-[4-(4-methylcyclohexyl)butyl]thiomorpholine
SMILESCC1CCC(CCCCN2CCSCC2)CC1
InChIInChI=1S/C15H29NS/c1-14-5-7-15(8-6-14)4-2-3-9-16-10-12-17-13-11-16/h14-15H,2-13H2,1H3
InChIKeyOQNRKOOFVQGUDP-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.03
Rot. Bonds5

About 4-[4-(4-methylcyclohexyl)butyl]thiomorpholine

4-[4-(4-methylcyclohexyl)butyl]thiomorpholine (PubChem CID 91567293) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 4-[4-(4-methylcyclohexyl)butyl]thiomorpholine.

Molecular Properties

Compound Name4-[4-(4-methylcyclohexyl)butyl]thiomorpholine
PubChem CID91567293
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name4-[4-(4-methylcyclohexyl)butyl]thiomorpholine
SMILESCC1CCC(CCCCN2CCSCC2)CC1
InChIInChI=1S/C15H29NS/c1-14-5-7-15(8-6-14)4-2-3-9-16-10-12-17-13-11-16/h14-15H,2-13H2,1H3
InChIKeyOQNRKOOFVQGUDP-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylcyclohexyl)butyl]thiomorpholine?
The IUPAC name of 4-[4-(4-methylcyclohexyl)butyl]thiomorpholine (CID 91567293) is 4-[4-(4-methylcyclohexyl)butyl]thiomorpholine.
What is the SMILES notation for 4-[4-(4-methylcyclohexyl)butyl]thiomorpholine?
The canonical SMILES for 4-[4-(4-methylcyclohexyl)butyl]thiomorpholine is CC1CCC(CCCCN2CCSCC2)CC1.
What is the InChIKey of 4-[4-(4-methylcyclohexyl)butyl]thiomorpholine?
The InChIKey is OQNRKOOFVQGUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-14-5-7-15(8-6-14)4-2-3-9-16-10-12-17-13-11-16/h14-15H,2-13H2,1H3.
What are the key properties of 4-[4-(4-methylcyclohexyl)butyl]thiomorpholine?
4-[4-(4-methylcyclohexyl)butyl]thiomorpholine has a molecular weight of 255.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylcyclohexyl)butyl]thiomorpholine is sourced from PubChem (CID 91567293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).