4-(3-bromopropyl)-3-methylsulfonylthiomorpholine

C8H16BrNO2S2 — CID 66383009

IUPAC4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CCCBr
InChIInChI=1S/C8H16BrNO2S2/c1-14(11,12)8-7-13-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3
InChIKeyHHPSOPDSGUQCIV-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.19
Rot. Bonds4

About 4-(3-bromopropyl)-3-methylsulfonylthiomorpholine

4-(3-bromopropyl)-3-methylsulfonylthiomorpholine (PubChem CID 66383009) has the molecular formula C8H16BrNO2S2 and a molecular weight of 302.26 g/mol. Its IUPAC name is 4-(3-bromopropyl)-3-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
PubChem CID66383009
Molecular FormulaC8H16BrNO2S2
Molecular Weight302.26 g/mol
Exact Mass300.98
IUPAC Name4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CCCBr
InChIInChI=1S/C8H16BrNO2S2/c1-14(11,12)8-7-13-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3
InChIKeyHHPSOPDSGUQCIV-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

N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine
CID 66384183
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine
CID 66382227
1-bromo-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 112561758
4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
CID 66382459
N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine
CID 66383426
2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid
CID 66382213
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
CID 66378289
3-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-1-amine
CID 66377525
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine
CID 112736888

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)-3-methylsulfonylthiomorpholine?
The IUPAC name of 4-(3-bromopropyl)-3-methylsulfonylthiomorpholine (CID 66383009) is 4-(3-bromopropyl)-3-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-(3-bromopropyl)-3-methylsulfonylthiomorpholine?
The canonical SMILES for 4-(3-bromopropyl)-3-methylsulfonylthiomorpholine is CS(=O)(=O)C1CSCCN1CCCBr.
What is the InChIKey of 4-(3-bromopropyl)-3-methylsulfonylthiomorpholine?
The InChIKey is HHPSOPDSGUQCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S2/c1-14(11,12)8-7-13-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3.
What are the key properties of 4-(3-bromopropyl)-3-methylsulfonylthiomorpholine?
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine 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-(3-bromopropyl)-3-methylsulfonylthiomorpholine is sourced from PubChem (CID 66383009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).