3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine

C10H20BrNO3S — CID 106731370

IUPAC3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
SMILESCC(C)S(=O)(=O)CCN1CCOCC1CBr
InChIInChI=1S/C10H20BrNO3S/c1-9(2)16(13,14)6-4-12-3-5-15-8-10(12)7-11/h9-10H,3-8H2,1-2H3
InChIKeyMTAACYLSDLAHIQ-UHFFFAOYSA-N
MW314.25 g/mol
LogP0.91
Rot. Bonds5

About 3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine

3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine (PubChem CID 106731370) has the molecular formula C10H20BrNO3S and a molecular weight of 314.25 g/mol. Its IUPAC name is 3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine.

Molecular Properties

Compound Name3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
PubChem CID106731370
Molecular FormulaC10H20BrNO3S
Molecular Weight314.25 g/mol
Exact Mass313.03
IUPAC Name3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine
SMILESCC(C)S(=O)(=O)CCN1CCOCC1CBr
InChIInChI=1S/C10H20BrNO3S/c1-9(2)16(13,14)6-4-12-3-5-15-8-10(12)7-11/h9-10H,3-8H2,1-2H3
InChIKeyMTAACYLSDLAHIQ-UHFFFAOYSA-N
XLogP0.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 50.91
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

N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine
CID 106725865
N-[[4-(2-methylsulfonylethyl)morpholin-3-yl]methyl]propan-2-amine
CID 83100521
3-[3-(bromomethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526736
2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731203
[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine
CID 84698058
2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106725856
3-(bromomethyl)-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 103015366
4-(3-bromopropyl)-3-ethylmorpholine
CID 61288372
2-[3-(hydroxymethyl)morpholin-4-yl]ethanol
CID 83815724
4-(3-bromo-2-methylpropyl)-3-ethylmorpholine
CID 64996341
4-(9-bromononyl)-3-ethylmorpholine
CID 105343626
3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine
CID 114934235

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine?
The IUPAC name of 3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine (CID 106731370) is 3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine.
What is the SMILES notation for 3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine?
The canonical SMILES for 3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine is CC(C)S(=O)(=O)CCN1CCOCC1CBr.
What is the InChIKey of 3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine?
The InChIKey is MTAACYLSDLAHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3S/c1-9(2)16(13,14)6-4-12-3-5-15-8-10(12)7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine?
3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine has a molecular weight of 314.25 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-(2-propan-2-ylsulfonylethyl)morpholine is sourced from PubChem (CID 106731370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).