4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine

C8H16BrNO2S2 — CID 66375585

IUPAC4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CCBr
InChIInChI=1S/C8H16BrNO2S2/c1-2-14(11,12)8-7-13-6-5-10(8)4-3-9/h8H,2-7H2,1H3
InChIKeyDJZNUPXQQXQALV-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.19
Rot. Bonds4

About 4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine

4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine (PubChem CID 66375585) has the molecular formula C8H16BrNO2S2 and a molecular weight of 302.26 g/mol. Its IUPAC name is 4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
PubChem CID66375585
Molecular FormulaC8H16BrNO2S2
Molecular Weight302.26 g/mol
Exact Mass300.98
IUPAC Name4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CCBr
InChIInChI=1S/C8H16BrNO2S2/c1-2-14(11,12)8-7-13-6-5-10(8)4-3-9/h8H,2-7H2,1H3
InChIKeyDJZNUPXQQXQALV-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.19
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

4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
CID 66378289
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
CID 66377719
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylhexan-1-amine
CID 66375798
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol
CID 66375790
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 66375995
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
CID 66376796
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine
CID 66377931

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine (CID 66375585) is 4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine is CCS(=O)(=O)C1CSCCN1CCBr.
What is the InChIKey of 4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine?
The InChIKey is DJZNUPXQQXQALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S2/c1-2-14(11,12)8-7-13-6-5-10(8)4-3-9/h8H,2-7H2,1H3.
What are the key properties of 4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine?
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine has a molecular weight of 302.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 66375585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).