3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine

C7H14BrNS — CID 66227664

IUPAC3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine
SMILESC=C(Br)CSCC(C)CN
InChIInChI=1S/C7H14BrNS/c1-6(3-9)4-10-5-7(2)8/h6H,2-5,9H2,1H3
InChIKeyAZJGHIQCVQKFJA-UHFFFAOYSA-N
MW224.17 g/mol
LogP2.22
Rot. Bonds5

About 3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine

3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine (PubChem CID 66227664) has the molecular formula C7H14BrNS and a molecular weight of 224.17 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine
PubChem CID66227664
Molecular FormulaC7H14BrNS
Molecular Weight224.17 g/mol
Exact Mass223.00
IUPAC Name3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine
SMILESC=C(Br)CSCC(C)CN
InChIInChI=1S/C7H14BrNS/c1-6(3-9)4-10-5-7(2)8/h6H,2-5,9H2,1H3
InChIKeyAZJGHIQCVQKFJA-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine (CID 66227664) is 3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine is C=C(Br)CSCC(C)CN.
What is the InChIKey of 3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine?
The InChIKey is AZJGHIQCVQKFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNS/c1-6(3-9)4-10-5-7(2)8/h6H,2-5,9H2,1H3.
What are the key properties of 3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine?
3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine has a molecular weight of 224.17 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enylsulfanyl)-2-methylpropan-1-amine is sourced from PubChem (CID 66227664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).