N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide

C7H8BrNOS2 — CID 115167022

IUPACN-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
SMILESCN(C(=O)CS)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS2/c1-9(6(10)4-11)7-3-2-5(8)12-7/h2-3,11H,4H2,1H3
InChIKeyTZTLFENAMWBXRO-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.40
Rot. Bonds2

About N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide

N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide (PubChem CID 115167022) has the molecular formula C7H8BrNOS2 and a molecular weight of 266.19 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
PubChem CID115167022
Molecular FormulaC7H8BrNOS2
Molecular Weight266.19 g/mol
Exact Mass264.92
IUPAC NameN-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
SMILESCN(C(=O)CS)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS2/c1-9(6(10)4-11)7-3-2-5(8)12-7/h2-3,11H,4H2,1H3
InChIKeyTZTLFENAMWBXRO-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
CID 115176777
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide
CID 115173629
N-(4-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167064
N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171678
N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187232
[(5-bromothiophen-2-yl)-methylamino]methanol
CID 115228803
N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150784
N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187675
ethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128742
4-[(5-bromothiophen-2-yl)-methylamino]-2-methylbutanoic acid
CID 115220620

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide (CID 115167022) is N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide is CN(C(=O)CS)c1ccc(Br)s1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide?
The InChIKey is TZTLFENAMWBXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS2/c1-9(6(10)4-11)7-3-2-5(8)12-7/h2-3,11H,4H2,1H3.
What are the key properties of N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide?
N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide has a molecular weight of 266.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide is sourced from PubChem (CID 115167022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).