1-(2-bromoprop-2-enylsulfanyl)propan-2-amine

C6H12BrNS — CID 66217491

IUPAC1-(2-bromoprop-2-enylsulfanyl)propan-2-amine
SMILESC=C(Br)CSCC(C)N
InChIInChI=1S/C6H12BrNS/c1-5(7)3-9-4-6(2)8/h6H,1,3-4,8H2,2H3
InChIKeyIYCVPVMEZITHLK-UHFFFAOYSA-N
MW210.14 g/mol
LogP1.98
Rot. Bonds4

About 1-(2-bromoprop-2-enylsulfanyl)propan-2-amine

1-(2-bromoprop-2-enylsulfanyl)propan-2-amine (PubChem CID 66217491) has the molecular formula C6H12BrNS and a molecular weight of 210.14 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromoprop-2-enylsulfanyl)propan-2-amine
PubChem CID66217491
Molecular FormulaC6H12BrNS
Molecular Weight210.14 g/mol
Exact Mass208.99
IUPAC Name1-(2-bromoprop-2-enylsulfanyl)propan-2-amine
SMILESC=C(Br)CSCC(C)N
InChIInChI=1S/C6H12BrNS/c1-5(7)3-9-4-6(2)8/h6H,1,3-4,8H2,2H3
InChIKeyIYCVPVMEZITHLK-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-bromoprop-2-enylsulfanyl)propan-2-amine (CID 66217491) is 1-(2-bromoprop-2-enylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromoprop-2-enylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-bromoprop-2-enylsulfanyl)propan-2-amine is C=C(Br)CSCC(C)N.
What is the InChIKey of 1-(2-bromoprop-2-enylsulfanyl)propan-2-amine?
The InChIKey is IYCVPVMEZITHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNS/c1-5(7)3-9-4-6(2)8/h6H,1,3-4,8H2,2H3.
What are the key properties of 1-(2-bromoprop-2-enylsulfanyl)propan-2-amine?
1-(2-bromoprop-2-enylsulfanyl)propan-2-amine has a molecular weight of 210.14 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enylsulfanyl)propan-2-amine is sourced from PubChem (CID 66217491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).