2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine

C10H20ClNO3S — CID 81214049

IUPAC2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
SMILESCCS(=O)(=O)CCCN1CCOC(CCl)C1
InChIInChI=1S/C10H20ClNO3S/c1-2-16(13,14)7-3-4-12-5-6-15-10(8-11)9-12/h10H,2-9H2,1H3
InChIKeyQYLNKWISKJBUOQ-UHFFFAOYSA-N
MW269.79 g/mol
LogP0.75
Rot. Bonds6

About 2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine

2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine (PubChem CID 81214049) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
PubChem CID81214049
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
SMILESCCS(=O)(=O)CCCN1CCOC(CCl)C1
InChIInChI=1S/C10H20ClNO3S/c1-2-16(13,14)7-3-4-12-5-6-15-10(8-11)9-12/h10H,2-9H2,1H3
InChIKeyQYLNKWISKJBUOQ-UHFFFAOYSA-N
XLogP0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 50.75
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

2-(chloromethyl)-4-pentylmorpholine
CID 81213679
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526695
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
CID 79681296
2-(chloromethyl)-4-(2-methoxyethyl)morpholine
CID 71380067
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
CID 79822188
4-dodecyl-2-ethylmorpholine
CID 4616518
N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide
CID 95293347
3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012
2-(chloromethyl)-4-(2-ethylhexyl)morpholine
CID 81210479
(2S)-2-butyl-4-decylmorpholine
CID 98152093

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine (CID 81214049) is 2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine is CCS(=O)(=O)CCCN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine?
The InChIKey is QYLNKWISKJBUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-2-16(13,14)7-3-4-12-5-6-15-10(8-11)9-12/h10H,2-9H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine?
2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine has a molecular weight of 269.79 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine is sourced from PubChem (CID 81214049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).