2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine

C11H17BrN2O2S3 — CID 66384487

IUPAC2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
SMILESCS(=O)(=O)C1CSCCN1C(CN)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2O2S3/c1-19(15,16)11-7-17-5-4-14(11)8(6-13)9-2-3-10(12)18-9/h2-3,8,11H,4-7,13H2,1H3
InChIKeyMHUZFKGROVSMRF-UHFFFAOYSA-N
MW385.37 g/mol
LogP1.93
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine

2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine (PubChem CID 66384487) has the molecular formula C11H17BrN2O2S3 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
PubChem CID66384487
Molecular FormulaC11H17BrN2O2S3
Molecular Weight385.37 g/mol
Exact Mass383.96
IUPAC Name2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
SMILESCS(=O)(=O)C1CSCCN1C(CN)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2O2S3/c1-19(15,16)11-7-17-5-4-14(11)8(6-13)9-2-3-10(12)18-9/h2-3,8,11H,4-7,13H2,1H3
InChIKeyMHUZFKGROVSMRF-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
4-bromo-N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 5310120
4-bromo-N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 3242881
5-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]thiophene-2-sulfonamide
CID 49747672
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]ethanesulfonamide
CID 3240176
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]methanesulfonamide
CID 28732262
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]methanesulfonamide;hydrochloride
CID 47023782
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide
CID 93157794
2-(5-Bromothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43173294
2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
CID 55871017
1-[(5-Bromothiophen-2-yl)methyl]-4-[3-(4-fluorophenyl)sulfonylpropyl]piperazine
CID 56066340
N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 56159560

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine (CID 66384487) is 2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine is CS(=O)(=O)C1CSCCN1C(CN)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
The InChIKey is MHUZFKGROVSMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S3/c1-19(15,16)11-7-17-5-4-14(11)8(6-13)9-2-3-10(12)18-9/h2-3,8,11H,4-7,13H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine has a molecular weight of 385.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 66384487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).