3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide

C12H24N2O3S — CID 80521983

IUPAC3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCOC1CCN(CCC2CS(=O)(=O)CCN2)CC1
InChIInChI=1S/C12H24N2O3S/c1-17-12-3-7-14(8-4-12)6-2-11-10-18(15,16)9-5-13-11/h11-13H,2-10H2,1H3
InChIKeyIXHGBCNEMNDCKP-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.13
Rot. Bonds4

About 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide

3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 80521983) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID80521983
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCOC1CCN(CCC2CS(=O)(=O)CCN2)CC1
InChIInChI=1S/C12H24N2O3S/c1-17-12-3-7-14(8-4-12)6-2-11-10-18(15,16)9-5-13-11/h11-13H,2-10H2,1H3
InChIKeyIXHGBCNEMNDCKP-UHFFFAOYSA-N
XLogP-0.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80522145
3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521219
3-[2-(4-tert-butylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80519793
3-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521283
3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80522139
N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine
CID 80522010
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
3-methoxy-1-(2-piperidin-2-ylethyl)piperidine
CID 102965751
N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine
CID 80521755
2-[(4-methoxypiperidin-1-yl)methyl]azepane
CID 64569369
1-(2-bromoethyl)-4-methoxypiperidine
CID 61286304
[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 91666874

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide (CID 80521983) is 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide is COC1CCN(CCC2CS(=O)(=O)CCN2)CC1.
What is the InChIKey of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is IXHGBCNEMNDCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-17-12-3-7-14(8-4-12)6-2-11-10-18(15,16)9-5-13-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 276.40 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 80521983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).