4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide

C11H22N2O2S — CID 62356507

IUPAC4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCC2CCCNC2)CC1
InChIInChI=1S/C11H22N2O2S/c14-16(15)8-6-13(7-9-16)5-3-11-2-1-4-12-10-11/h11-12H,1-10H2
InChIKeyCMXVTXWNRLEBET-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.11
Rot. Bonds3

About 4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide

4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 62356507) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID62356507
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCC2CCCNC2)CC1
InChIInChI=1S/C11H22N2O2S/c14-16(15)8-6-13(7-9-16)5-3-11-2-1-4-12-10-11/h11-12H,1-10H2
InChIKeyCMXVTXWNRLEBET-UHFFFAOYSA-N
XLogP0.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
CID 62357709
2-[4-(2-piperidin-3-ylethyl)piperazin-1-yl]ethanol
CID 53408974
3-(2-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane
CID 62937065
1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
CID 56831674
1-cyclopentyl-4-(2-piperidin-3-ylethyl)piperazine
CID 55091230
4-methyl-1-(2-piperidin-3-ylethyl)azepane
CID 63622050
3-[2-(1,4-diazepan-1-yl)ethyl]thiolane 1,1-dioxide
CID 131900132
(3S)-1-[2-[(3S)-piperidin-3-yl]ethyl]pyrrolidin-3-ol
CID 86323422
N-[[1-(2-piperidin-3-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736376
1-(4-fluorophenyl)-4-(2-piperidin-3-ylethyl)piperazine
CID 62356339
8-(3-piperidin-3-ylpropyl)-8-azaspiro[4.5]decane
CID 63161199
1-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 55064960

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide (CID 62356507) is 4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CCC2CCCNC2)CC1.
What is the InChIKey of 4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is CMXVTXWNRLEBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c14-16(15)8-6-13(7-9-16)5-3-11-2-1-4-12-10-11/h11-12H,1-10H2.
What are the key properties of 4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide?
4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 246.38 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 62356507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).