1-cyclohexyl-5-morpholin-4-ylpentane-2-thione

C15H27NOS — CID 148714641

IUPAC1-cyclohexyl-5-morpholin-4-ylpentane-2-thione
SMILESS=C(CCCN1CCOCC1)CC1CCCCC1
InChIInChI=1S/C15H27NOS/c18-15(13-14-5-2-1-3-6-14)7-4-8-16-9-11-17-12-10-16/h14H,1-13H2
InChIKeyNXWOIVHPKYQGQZ-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.44
Rot. Bonds6

About 1-cyclohexyl-5-morpholin-4-ylpentane-2-thione

1-cyclohexyl-5-morpholin-4-ylpentane-2-thione (PubChem CID 148714641) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 1-cyclohexyl-5-morpholin-4-ylpentane-2-thione.

Molecular Properties

Compound Name1-cyclohexyl-5-morpholin-4-ylpentane-2-thione
PubChem CID148714641
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name1-cyclohexyl-5-morpholin-4-ylpentane-2-thione
SMILESS=C(CCCN1CCOCC1)CC1CCCCC1
InChIInChI=1S/C15H27NOS/c18-15(13-14-5-2-1-3-6-14)7-4-8-16-9-11-17-12-10-16/h14H,1-13H2
InChIKeyNXWOIVHPKYQGQZ-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-morpholin-4-ylpentane-2-thione?
The IUPAC name of 1-cyclohexyl-5-morpholin-4-ylpentane-2-thione (CID 148714641) is 1-cyclohexyl-5-morpholin-4-ylpentane-2-thione.
What is the SMILES notation for 1-cyclohexyl-5-morpholin-4-ylpentane-2-thione?
The canonical SMILES for 1-cyclohexyl-5-morpholin-4-ylpentane-2-thione is S=C(CCCN1CCOCC1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-morpholin-4-ylpentane-2-thione?
The InChIKey is NXWOIVHPKYQGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c18-15(13-14-5-2-1-3-6-14)7-4-8-16-9-11-17-12-10-16/h14H,1-13H2.
What are the key properties of 1-cyclohexyl-5-morpholin-4-ylpentane-2-thione?
1-cyclohexyl-5-morpholin-4-ylpentane-2-thione has a molecular weight of 269.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-morpholin-4-ylpentane-2-thione is sourced from PubChem (CID 148714641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).