2-(2-bromoprop-2-enylsulfanyl)ethanamine

C5H10BrNS — CID 58684198

IUPAC2-(2-bromoprop-2-enylsulfanyl)ethanamine
SMILESC=C(Br)CSCCN
InChIInChI=1S/C5H10BrNS/c1-5(6)4-8-3-2-7/h1-4,7H2
InChIKeyPPCYHPZTFXBHOD-UHFFFAOYSA-N
MW196.11 g/mol
LogP1.59
Rot. Bonds4

About 2-(2-bromoprop-2-enylsulfanyl)ethanamine

2-(2-bromoprop-2-enylsulfanyl)ethanamine (PubChem CID 58684198) has the molecular formula C5H10BrNS and a molecular weight of 196.11 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylsulfanyl)ethanamine
PubChem CID58684198
Molecular FormulaC5H10BrNS
Molecular Weight196.11 g/mol
Exact Mass194.97
IUPAC Name2-(2-bromoprop-2-enylsulfanyl)ethanamine
SMILESC=C(Br)CSCCN
InChIInChI=1S/C5H10BrNS/c1-5(6)4-8-3-2-7/h1-4,7H2
InChIKeyPPCYHPZTFXBHOD-UHFFFAOYSA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bromoprop-2-enylsulfanyl)ethanamine 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

2-(2-Bromoprop-2-enylsulfinyl)ethanamine
CID 58684349
2-[(E)-3-bromoprop-2-enyl]sulfanylethanamine
CID 58684417
3-(2-Bromoprop-2-enylsulfanyl)propan-1-amine
CID 58685061
2-(3-Bromoprop-2-enylsulfanyl)ethanamine
CID 72391094
2-Prop-1-en-2-ylsulfanylethanamine
CID 88544280
1-(2-Bromoprop-2-enylsulfanyl)propan-2-amine
CID 66217491
2-(2-Bromoprop-2-enylsulfanyl)propan-1-amine
CID 66220078
3-(2-Bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine
CID 66227664
1-(2-Bromoprop-2-enylsulfanyl)butan-2-amine
CID 66228228
3-(2-Bromoprop-2-enylsulfanyl)butan-1-amine
CID 66229070
4-(2-Bromoprop-2-enylsulfanyl)butan-2-amine
CID 66233704
2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine
CID 130765935

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylsulfanyl)ethanamine?
The IUPAC name of 2-(2-bromoprop-2-enylsulfanyl)ethanamine (CID 58684198) is 2-(2-bromoprop-2-enylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-bromoprop-2-enylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-bromoprop-2-enylsulfanyl)ethanamine is C=C(Br)CSCCN.
What is the InChIKey of 2-(2-bromoprop-2-enylsulfanyl)ethanamine?
The InChIKey is PPCYHPZTFXBHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNS/c1-5(6)4-8-3-2-7/h1-4,7H2.
What are the key properties of 2-(2-bromoprop-2-enylsulfanyl)ethanamine?
2-(2-bromoprop-2-enylsulfanyl)ethanamine has a molecular weight of 196.11 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylsulfanyl)ethanamine is sourced from PubChem (CID 58684198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).