2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine

C7H10BrNS2 — CID 117032570

IUPAC2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine
SMILESCNCCSc1ccc(Br)s1
InChIInChI=1S/C7H10BrNS2/c1-9-4-5-10-7-3-2-6(8)11-7/h2-3,9H,4-5H2,1H3
InChIKeyPMGOGQVLCBJMCN-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.82
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine

2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine (PubChem CID 117032570) has the molecular formula C7H10BrNS2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine
PubChem CID117032570
Molecular FormulaC7H10BrNS2
Molecular Weight252.20 g/mol
Exact Mass250.94
IUPAC Name2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine
SMILESCNCCSc1ccc(Br)s1
InChIInChI=1S/C7H10BrNS2/c1-9-4-5-10-7-3-2-6(8)11-7/h2-3,9H,4-5H2,1H3
InChIKeyPMGOGQVLCBJMCN-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-bromothiophen-2-yl)sulfanylmethanethiol
CID 117033712
3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine
CID 117032644
N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine
CID 58328439
2-benzylsulfanyl-5-bromothiophene
CID 121378629
N'-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 115201662
2-methyl-4-[2-(methylamino)ethylsulfanyl]aniline
CID 79148202
N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline
CID 162732190
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 61386393
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
CID 104546961
2-(2,5-dibromothiophen-3-yl)-N-methylethanamine
CID 139824397
1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine
CID 117035870

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine (CID 117032570) is 2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine is CNCCSc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine?
The InChIKey is PMGOGQVLCBJMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS2/c1-9-4-5-10-7-3-2-6(8)11-7/h2-3,9H,4-5H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine?
2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine has a molecular weight of 252.20 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 117032570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).