6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine

C11H20ClNO3S — CID 114781770

IUPAC6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)CC2CC2)CC(CCl)O1
InChIInChI=1S/C11H20ClNO3S/c1-11(2)8-13(6-10(5-12)16-11)17(14,15)7-9-3-4-9/h9-10H,3-8H2,1-2H3
InChIKeyYSQOEBLCOAWIFS-UHFFFAOYSA-N
MW281.81 g/mol
LogP1.44
Rot. Bonds4

About 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine

6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine (PubChem CID 114781770) has the molecular formula C11H20ClNO3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
PubChem CID114781770
Molecular FormulaC11H20ClNO3S
Molecular Weight281.81 g/mol
Exact Mass281.09
IUPAC Name6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)CC2CC2)CC(CCl)O1
InChIInChI=1S/C11H20ClNO3S/c1-11(2)8-13(6-10(5-12)16-11)17(14,15)7-9-3-4-9/h9-10H,3-8H2,1-2H3
InChIKeyYSQOEBLCOAWIFS-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine
CID 114781797
4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine
CID 114781769
6-(bromomethyl)-2,2-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
CID 114781881
6-(chloromethyl)-4-(2-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781760
[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol
CID 114777054
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781786
6-(chloromethyl)-4-cyclohexyl-2,2-dimethylmorpholine
CID 114780530
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363
6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
CID 106731416
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
CID 114779073
6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine
CID 114780482

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine (CID 114781770) is 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine is CC1(C)CN(S(=O)(=O)CC2CC2)CC(CCl)O1.
What is the InChIKey of 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine?
The InChIKey is YSQOEBLCOAWIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO3S/c1-11(2)8-13(6-10(5-12)16-11)17(14,15)7-9-3-4-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine?
6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine has a molecular weight of 281.81 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114781770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).