3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione

C14H25N3OS2 — CID 23969357

IUPAC3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione
SMILESS=C1SCN(CCN2CCOCC2)CN1C1CCCC1
InChIInChI=1S/C14H25N3OS2/c19-14-17(13-3-1-2-4-13)11-16(12-20-14)6-5-15-7-9-18-10-8-15/h13H,1-12H2
InChIKeyXXHWBTWZWZRCLX-UHFFFAOYSA-N
MW315.51 g/mol
LogP1.81
Rot. Bonds4

About 3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione

3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione (PubChem CID 23969357) has the molecular formula C14H25N3OS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is 3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione.

Molecular Properties

Compound Name3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione
PubChem CID23969357
Molecular FormulaC14H25N3OS2
Molecular Weight315.51 g/mol
Exact Mass315.14
IUPAC Name3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione
SMILESS=C1SCN(CCN2CCOCC2)CN1C1CCCC1
InChIInChI=1S/C14H25N3OS2/c19-14-17(13-3-1-2-4-13)11-16(12-20-14)6-5-15-7-9-18-10-8-15/h13H,1-12H2
InChIKeyXXHWBTWZWZRCLX-UHFFFAOYSA-N
XLogP1.81
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione?
The IUPAC name of 3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione (CID 23969357) is 3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione.
What is the SMILES notation for 3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione?
The canonical SMILES for 3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione is S=C1SCN(CCN2CCOCC2)CN1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione?
The InChIKey is XXHWBTWZWZRCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS2/c19-14-17(13-3-1-2-4-13)11-16(12-20-14)6-5-15-7-9-18-10-8-15/h13H,1-12H2.
What are the key properties of 3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione?
3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione has a molecular weight of 315.51 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(2-morpholin-4-ylethyl)-1,3,5-thiadiazinane-2-thione is sourced from PubChem (CID 23969357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).