2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine

C9H14ClN3O3S — CID 81211759

IUPAC2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
SMILESCn1cnc(S(=O)(=O)N2CCOC(CCl)C2)c1
InChIInChI=1S/C9H14ClN3O3S/c1-12-6-9(11-7-12)17(14,15)13-2-3-16-8(4-10)5-13/h6-8H,2-5H2,1H3
InChIKeyCORAYBJRNFIBRZ-UHFFFAOYSA-N
MW279.75 g/mol
LogP0.05
Rot. Bonds3

About 2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine

2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine (PubChem CID 81211759) has the molecular formula C9H14ClN3O3S and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
PubChem CID81211759
Molecular FormulaC9H14ClN3O3S
Molecular Weight279.75 g/mol
Exact Mass279.04
IUPAC Name2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
SMILESCn1cnc(S(=O)(=O)N2CCOC(CCl)C2)c1
InChIInChI=1S/C9H14ClN3O3S/c1-12-6-9(11-7-12)17(14,15)13-2-3-16-8(4-10)5-13/h6-8H,2-5H2,1H3
InChIKeyCORAYBJRNFIBRZ-UHFFFAOYSA-N
XLogP0.05
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-(1-methylpyrazol-4-yl)sulfonylmorpholine
CID 81212095
2-(chloromethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
CID 81212496
(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine
CID 124953478
2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 110105107
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
CID 79372670
4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole
CID 121164701
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine
CID 103308297
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine (CID 81211759) is 2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine is Cn1cnc(S(=O)(=O)N2CCOC(CCl)C2)c1.
What is the InChIKey of 2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine?
The InChIKey is CORAYBJRNFIBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S/c1-12-6-9(11-7-12)17(14,15)13-2-3-16-8(4-10)5-13/h6-8H,2-5H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine?
2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine has a molecular weight of 279.75 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 81211759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).