2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine

C9H14ClN3O3S — CID 102938022

IUPAC2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2cnc[nH]2)CC(CCl)O1
InChIInChI=1S/C9H14ClN3O3S/c1-7-4-13(5-8(2-10)16-7)17(14,15)9-3-11-6-12-9/h3,6-8H,2,4-5H2,1H3,(H,11,12)
InChIKeyRXZPMXNWUXFYNW-UHFFFAOYSA-N
MW279.75 g/mol
LogP0.43
Rot. Bonds3

About 2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine

2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine (PubChem CID 102938022) has the molecular formula C9H14ClN3O3S and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine
PubChem CID102938022
Molecular FormulaC9H14ClN3O3S
Molecular Weight279.75 g/mol
Exact Mass279.04
IUPAC Name2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2cnc[nH]2)CC(CCl)O1
InChIInChI=1S/C9H14ClN3O3S/c1-7-4-13(5-8(2-10)16-7)17(14,15)9-3-11-6-12-9/h3,6-8H,2,4-5H2,1H3,(H,11,12)
InChIKeyRXZPMXNWUXFYNW-UHFFFAOYSA-N
XLogP0.43
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 50.43
H-Bond Donors ≤ 51
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-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 102938072
2-(chloromethyl)-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 107329426
2-(bromomethyl)-4-(1H-imidazol-5-ylsulfonyl)morpholine
CID 81211257
2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine
CID 102938066
3-ethyl-1-(1H-imidazol-5-ylsulfonyl)piperidin-4-amine
CID 81457675
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119963875
1-(1H-imidazol-5-ylsulfonyl)piperazine;hydrochloride
CID 71778822
5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole
CID 90593680
3-(bromomethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80675450
(3aS,7aS)-2-[1-(1H-imidazol-5-ylsulfonyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99990119
3-bromo-1-(1H-imidazol-5-ylsulfonyl)piperidine
CID 80676122
[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol
CID 103300552

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine (CID 102938022) is 2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine is CC1CN(S(=O)(=O)c2cnc[nH]2)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine?
The InChIKey is RXZPMXNWUXFYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S/c1-7-4-13(5-8(2-10)16-7)17(14,15)9-3-11-6-12-9/h3,6-8H,2,4-5H2,1H3,(H,11,12).
What are the key properties of 2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine?
2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine has a molecular weight of 279.75 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine is sourced from PubChem (CID 102938022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).