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

C9H17NS — CID 89340268

IUPAC(6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
SMILESCC1NCC/C=C\C[C@@H](C)S1
InChIInChI=1S/C9H17NS/c1-8-6-4-3-5-7-10-9(2)11-8/h3-4,8-10H,5-7H2,1-2H3/b4-3-/t8-,9?/m1/s1
InChIKeyTXCGMOXWABVVEO-UXBGSERHSA-N
MW171.31 g/mol
LogP2.39
Rot. Bonds

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

(6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine (PubChem CID 89340268) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine.

Molecular Properties

Compound Name(6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
PubChem CID89340268
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
SMILESCC1NCC/C=C\C[C@@H](C)S1
InChIInChI=1S/C9H17NS/c1-8-6-4-3-5-7-10-9(2)11-8/h3-4,8-10H,5-7H2,1-2H3/b4-3-/t8-,9?/m1/s1
InChIKeyTXCGMOXWABVVEO-UXBGSERHSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.39
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 (6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine?
The IUPAC name of (6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine (CID 89340268) is (6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine.
What is the SMILES notation for (6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine?
The canonical SMILES for (6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine is CC1NCC/C=C\C[C@@H](C)S1.
What is the InChIKey of (6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine?
The InChIKey is TXCGMOXWABVVEO-UXBGSERHSA-N. The full InChI is InChI=1S/C9H17NS/c1-8-6-4-3-5-7-10-9(2)11-8/h3-4,8-10H,5-7H2,1-2H3/b4-3-/t8-,9?/m1/s1.
What are the key properties of (6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine?
(6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine has a molecular weight of 171.31 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine is sourced from PubChem (CID 89340268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).