4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide

C12H24N2OS — CID 63129878

IUPAC4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide
SMILESCCC1(CN2CCS(=O)CC2)CCNCC1
InChIInChI=1S/C12H24N2OS/c1-2-12(3-5-13-6-4-12)11-14-7-9-16(15)10-8-14/h13H,2-11H2,1H3
InChIKeyYPMOUIPTQYGXAG-UHFFFAOYSA-N
MW244.40 g/mol
LogP0.83
Rot. Bonds3

About 4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide

4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide (PubChem CID 63129878) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide
PubChem CID63129878
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide
SMILESCCC1(CN2CCS(=O)CC2)CCNCC1
InChIInChI=1S/C12H24N2OS/c1-2-12(3-5-13-6-4-12)11-14-7-9-16(15)10-8-14/h13H,2-11H2,1H3
InChIKeyYPMOUIPTQYGXAG-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine
CID 63129487
1-[(4-ethylpiperidin-4-yl)methyl]-4-methoxypiperidine
CID 55177605
4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazepane
CID 63129326
[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine
CID 115448951
1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine
CID 55218735
2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113335807
4,4-diethylpiperidine;hydrochloride
CID 75419509
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol
CID 62392754
2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934958
1-(cyclopropylmethyl)-4-[(3-ethylpyrrolidin-3-yl)methyl]piperazine
CID 55165550
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine
CID 62391156
4-[(3,3-diethylazetidin-1-yl)methyl]-4-(methoxymethyl)piperidine
CID 114280638

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide (CID 63129878) is 4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide is CCC1(CN2CCS(=O)CC2)CCNCC1.
What is the InChIKey of 4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide?
The InChIKey is YPMOUIPTQYGXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-2-12(3-5-13-6-4-12)11-14-7-9-16(15)10-8-14/h13H,2-11H2,1H3.
What are the key properties of 4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide?
4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide has a molecular weight of 244.40 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 63129878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).