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

C12H24N2O3S — CID 80522139

IUPAC3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCCC1CN(CCC2CS(=O)(=O)CCN2)CCO1
InChIInChI=1S/C12H24N2O3S/c1-2-12-9-14(6-7-17-12)5-3-11-10-18(15,16)8-4-13-11/h11-13H,2-10H2,1H3
InChIKeyQJFMIXSCMGGMLE-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.13
Rot. Bonds4

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

3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 80522139) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID80522139
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCCC1CN(CCC2CS(=O)(=O)CCN2)CCO1
InChIInChI=1S/C12H24N2O3S/c1-2-12-9-14(6-7-17-12)5-3-11-10-18(15,16)8-4-13-11/h11-13H,2-10H2,1H3
InChIKeyQJFMIXSCMGGMLE-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

2-ethyl-4-(3-piperidin-2-ylpropyl)morpholine
CID 55048124
N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 62560596
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521983
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
2-ethyl-4-(2-thiomorpholin-3-ylethyl)-1,4-oxazepane
CID 114218488
2,4-diethylmorpholine
CID 58988021
4-dodecyl-2-ethylmorpholine
CID 4616518
1-(2-ethylmorpholin-4-yl)butan-2-one
CID 62040570
2-amino-4-(2-ethylmorpholin-4-yl)butanoic acid
CID 63028647
1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one
CID 62623866
N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)ethanamine
CID 19989285
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide (CID 80522139) is 3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide is CCC1CN(CCC2CS(=O)(=O)CCN2)CCO1.
What is the InChIKey of 3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is QJFMIXSCMGGMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-12-9-14(6-7-17-12)5-3-11-10-18(15,16)8-4-13-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
3-[2-(2-ethylmorpholin-4-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-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 80522139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).