2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine

C6H12BrNS — CID 130765935

IUPAC2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine
SMILESC=C(Br)CSCCNC
InChIInChI=1S/C6H12BrNS/c1-6(7)5-9-4-3-8-2/h8H,1,3-5H2,2H3
InChIKeyYVVRPRVKSAFJJU-UHFFFAOYSA-N
MW210.14 g/mol
LogP1.85
Rot. Bonds5

About 2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine

2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine (PubChem CID 130765935) has the molecular formula C6H12BrNS and a molecular weight of 210.14 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine
PubChem CID130765935
Molecular FormulaC6H12BrNS
Molecular Weight210.14 g/mol
Exact Mass208.99
IUPAC Name2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine
SMILESC=C(Br)CSCCNC
InChIInChI=1S/C6H12BrNS/c1-6(7)5-9-4-3-8-2/h8H,1,3-5H2,2H3
InChIKeyYVVRPRVKSAFJJU-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine (CID 130765935) is 2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine is C=C(Br)CSCCNC.
What is the InChIKey of 2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine?
The InChIKey is YVVRPRVKSAFJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNS/c1-6(7)5-9-4-3-8-2/h8H,1,3-5H2,2H3.
What are the key properties of 2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine?
2-(2-bromoprop-2-enylsulfanyl)-N-methylethanamine has a molecular weight of 210.14 g/mol, XLogP of 1.85, 5 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)-N-methylethanamine is sourced from PubChem (CID 130765935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).