2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine

C11H20ClNO4S — CID 102938021

IUPAC2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)CC2CCCO2)CC(CCl)O1
InChIInChI=1S/C11H20ClNO4S/c1-9-6-13(7-11(5-12)17-9)18(14,15)8-10-3-2-4-16-10/h9-11H,2-8H2,1H3
InChIKeyFBJPRNYFLPYDNY-UHFFFAOYSA-N
MW297.80 g/mol
LogP0.82
Rot. Bonds4

About 2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine

2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine (PubChem CID 102938021) has the molecular formula C11H20ClNO4S and a molecular weight of 297.80 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
PubChem CID102938021
Molecular FormulaC11H20ClNO4S
Molecular Weight297.80 g/mol
Exact Mass297.08
IUPAC Name2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)CC2CCCO2)CC(CCl)O1
InChIInChI=1S/C11H20ClNO4S/c1-9-6-13(7-11(5-12)17-9)18(14,15)8-10-3-2-4-16-10/h9-11H,2-8H2,1H3
InChIKeyFBJPRNYFLPYDNY-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 63400894
2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine
CID 102938066
2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 102936612
2-[1-(oxolan-2-ylmethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617242
(3S,4S)-4-methyl-1-(oxan-2-ylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122104081
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937308
(4-ethylsulfonyl-6-methylmorpholin-2-yl)methanol
CID 102934875

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine (CID 102938021) is 2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine is CC1CN(S(=O)(=O)CC2CCCO2)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine?
The InChIKey is FBJPRNYFLPYDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO4S/c1-9-6-13(7-11(5-12)17-9)18(14,15)8-10-3-2-4-16-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine?
2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine has a molecular weight of 297.80 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine is sourced from PubChem (CID 102938021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).