[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone

C12H20ClNO2S — CID 102937414

IUPAC[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1CN(C(=O)C2(C)CCCS2)CC(CCl)O1
InChIInChI=1S/C12H20ClNO2S/c1-9-7-14(8-10(6-13)16-9)11(15)12(2)4-3-5-17-12/h9-10H,3-8H2,1-2H3
InChIKeyQYJXTHWNXPLQFA-UHFFFAOYSA-N
MW277.82 g/mol
LogP2.13
Rot. Bonds2

About [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone

[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone (PubChem CID 102937414) has the molecular formula C12H20ClNO2S and a molecular weight of 277.82 g/mol. Its IUPAC name is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
PubChem CID102937414
Molecular FormulaC12H20ClNO2S
Molecular Weight277.82 g/mol
Exact Mass277.09
IUPAC Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1CN(C(=O)C2(C)CCCS2)CC(CCl)O1
InChIInChI=1S/C12H20ClNO2S/c1-9-7-14(8-10(6-13)16-9)11(15)12(2)4-3-5-17-12/h9-10H,3-8H2,1-2H3
InChIKeyQYJXTHWNXPLQFA-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone
CID 102937471
[3-(chloromethyl)azetidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 130531426
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102937469
(3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
CID 130634407
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 102937419
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
CID 81452742
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 81002095
(1-ethylcyclopentyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934084
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937308
(1-aminocyclopropyl)-(2-ethyl-6-methylmorpholin-4-yl)methanone;hydrochloride
CID 119751390
(3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
CID 81450881

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone (CID 102937414) is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone is CC1CN(C(=O)C2(C)CCCS2)CC(CCl)O1.
What is the InChIKey of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone?
The InChIKey is QYJXTHWNXPLQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2S/c1-9-7-14(8-10(6-13)16-9)11(15)12(2)4-3-5-17-12/h9-10H,3-8H2,1-2H3.
What are the key properties of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone?
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone has a molecular weight of 277.82 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 102937414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).