N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine

C9H14BrNO2S2 — CID 95505346

IUPACN-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine
SMILESCC(C)NCCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO2S2/c1-7(2)11-5-6-15(12,13)9-4-3-8(10)14-9/h3-4,7,11H,5-6H2,1-2H3
InChIKeyOBEZACVAXVCWHJ-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine

N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine (PubChem CID 95505346) has the molecular formula C9H14BrNO2S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine
PubChem CID95505346
Molecular FormulaC9H14BrNO2S2
Molecular Weight312.25 g/mol
Exact Mass310.96
IUPAC NameN-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine
SMILESCC(C)NCCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO2S2/c1-7(2)11-5-6-15(12,13)9-4-3-8(10)14-9/h3-4,7,11H,5-6H2,1-2H3
InChIKeyOBEZACVAXVCWHJ-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
1-(5-bromothiophen-2-yl)sulfonylpropan-2-one
CID 28753742
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
N-[[1-(5-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63879127
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018832
N-[1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63854706
(5-bromothiophen-2-yl)-tri(propan-2-yl)-λ4-sulfane
CID 129049303

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine (CID 95505346) is N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine is CC(C)NCCS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine?
The InChIKey is OBEZACVAXVCWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S2/c1-7(2)11-5-6-15(12,13)9-4-3-8(10)14-9/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine?
N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine has a molecular weight of 312.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)sulfonylethyl]propan-2-amine is sourced from PubChem (CID 95505346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).