6-cyclohexylthiazinane;ethane

C12H25NS — CID 144883363

IUPAC6-cyclohexylthiazinane;ethane
SMILESC1CCC(C2CCCNS2)CC1.CC
InChIInChI=1S/C10H19NS.C2H6/c1-2-5-9(6-3-1)10-7-4-8-11-12-10;1-2/h9-11H,1-8H2;1-2H3
InChIKeyXWMJKZSUPINUQM-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.99
Rot. Bonds1

About 6-cyclohexylthiazinane;ethane

6-cyclohexylthiazinane;ethane (PubChem CID 144883363) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 6-cyclohexylthiazinane;ethane.

Molecular Properties

Compound Name6-cyclohexylthiazinane;ethane
PubChem CID144883363
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name6-cyclohexylthiazinane;ethane
SMILESC1CCC(C2CCCNS2)CC1.CC
InChIInChI=1S/C10H19NS.C2H6/c1-2-5-9(6-3-1)10-7-4-8-11-12-10;1-2/h9-11H,1-8H2;1-2H3
InChIKeyXWMJKZSUPINUQM-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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bis(2-cycloheptylthiepane);hydrate
CID 70353044
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906
thiazinane-6-carbonitrile
CID 174957363
cyclononylcycloicosane
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cyclohexylcycloheptane
CID 524589
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
2-cyclohexyl-3-fluoro-3-methylpyrrolidine
CID 84718947
(3S)-3-cyclohexylpiperidine
CID 7016473
2-cycloheptyl-3-methylpiperidine
CID 84720602
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylthiazinane;ethane?
The IUPAC name of 6-cyclohexylthiazinane;ethane (CID 144883363) is 6-cyclohexylthiazinane;ethane.
What is the SMILES notation for 6-cyclohexylthiazinane;ethane?
The canonical SMILES for 6-cyclohexylthiazinane;ethane is C1CCC(C2CCCNS2)CC1.CC.
What is the InChIKey of 6-cyclohexylthiazinane;ethane?
The InChIKey is XWMJKZSUPINUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS.C2H6/c1-2-5-9(6-3-1)10-7-4-8-11-12-10;1-2/h9-11H,1-8H2;1-2H3.
What are the key properties of 6-cyclohexylthiazinane;ethane?
6-cyclohexylthiazinane;ethane has a molecular weight of 215.41 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylthiazinane;ethane is sourced from PubChem (CID 144883363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).