(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine

C8H15NS — CID 89343193

IUPAC(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
SMILESC[C@@H]1NCC/C=C\CCS1
InChIInChI=1S/C8H15NS/c1-8-9-6-4-2-3-5-7-10-8/h2-3,8-9H,4-7H2,1H3/b3-2-/t8-/m1/s1
InChIKeyDSCJDOUWPWRJMB-YAJNLLPGSA-N
MW157.28 g/mol
LogP2.01
Rot. Bonds

About (2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine

(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine (PubChem CID 89343193) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine.

Molecular Properties

Compound Name(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
PubChem CID89343193
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
SMILESC[C@@H]1NCC/C=C\CCS1
InChIInChI=1S/C8H15NS/c1-8-9-6-4-2-3-5-7-10-8/h2-3,8-9H,4-7H2,1H3/b3-2-/t8-/m1/s1
InChIKeyDSCJDOUWPWRJMB-YAJNLLPGSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine?
The IUPAC name of (2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine (CID 89343193) is (2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine.
What is the SMILES notation for (2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine?
The canonical SMILES for (2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine is C[C@@H]1NCC/C=C\CCS1.
What is the InChIKey of (2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine?
The InChIKey is DSCJDOUWPWRJMB-YAJNLLPGSA-N. The full InChI is InChI=1S/C8H15NS/c1-8-9-6-4-2-3-5-7-10-8/h2-3,8-9H,4-7H2,1H3/b3-2-/t8-/m1/s1.
What are the key properties of (2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine?
(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine has a molecular weight of 157.28 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine is sourced from PubChem (CID 89343193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).