1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide

C12H25N3OS — CID 165137094

IUPAC1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide
SMILESCCN=S1(=O)CCN(CC2CCNCC2)CC1
InChIInChI=1S/C12H25N3OS/c1-2-14-17(16)9-7-15(8-10-17)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3
InChIKeyNZHIZSUFOSIAMH-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.79
Rot. Bonds3

About 1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide

1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide (PubChem CID 165137094) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide
PubChem CID165137094
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide
SMILESCCN=S1(=O)CCN(CC2CCNCC2)CC1
InChIInChI=1S/C12H25N3OS/c1-2-14-17(16)9-7-15(8-10-17)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3
InChIKeyNZHIZSUFOSIAMH-UHFFFAOYSA-N
XLogP0.79
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-ethylsulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119930045
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
CID 165138084
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967874
7,7-dimethyl-2-(piperidin-4-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115101135
1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethanol;hydrochloride
CID 119931316
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
4-(1,4-diazepan-1-ylmethyl)thiane 1,1-dioxide
CID 115100681
1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
CID 177134839
1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091278

Frequently Asked Questions

What is the IUPAC name of 1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide (CID 165137094) is 1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide is CCN=S1(=O)CCN(CC2CCNCC2)CC1.
What is the InChIKey of 1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide?
The InChIKey is NZHIZSUFOSIAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-2-14-17(16)9-7-15(8-10-17)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide?
1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide has a molecular weight of 259.42 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 165137094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).